Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2021-09-11 20:19:04 UTC |
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Update Date | 2021-09-26 23:15:43 UTC |
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HMDB ID | HMDB0258651 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Syndyphalin-33 |
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Description | Syndyphalin-33 belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review a small amount of articles have been published on Syndyphalin-33. This compound has been identified in human blood as reported by (PMID: 31557052 ). Syndyphalin-33 is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Syndyphalin-33 is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. |
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Structure | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O)C=C1 InChI=1S/C25H34N4O5S/c1-28(15-14-18-7-4-3-5-8-18)23(27)25(33)29(22(31)9-6-16-35(2)34)24(32)21(26)17-19-10-12-20(30)13-11-19/h3-5,7-8,10-13,21,23,30H,6,9,14-17,26-27H2,1-2H3 |
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Synonyms | Value | Source |
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2-Amino-N-{2-amino-2-[methyl(2-phenylethyl)amino]acetyl}-3-(4-hydroxyphenyl)-N-(4-methanesulphinylbutanoyl)propanamide | HMDB |
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Chemical Formula | C25H34N4O5S |
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Average Molecular Weight | 502.63 |
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Monoisotopic Molecular Weight | 502.224991385 |
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IUPAC Name | 2-amino-N-{2-amino-2-[methyl(2-phenylethyl)amino]acetyl}-3-(4-hydroxyphenyl)-N-(4-methanesulfinylbutanoyl)propanamide |
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Traditional Name | 2-amino-N-{2-amino-2-[methyl(2-phenylethyl)amino]acetyl}-3-(4-hydroxyphenyl)-N-(4-methanesulfinylbutanoyl)propanamide |
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CAS Registry Number | Not Available |
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SMILES | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O)C=C1 |
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InChI Identifier | InChI=1S/C25H34N4O5S/c1-28(15-14-18-7-4-3-5-8-18)23(27)25(33)29(22(31)9-6-16-35(2)34)24(32)21(26)17-19-10-12-20(30)13-11-19/h3-5,7-8,10-13,21,23,30H,6,9,14-17,26-27H2,1-2H3 |
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InChI Key | VZHJHDJYSCFOFP-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | Tyrosine and derivatives |
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Alternative Parents | |
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Substituents | - Tyrosine or derivatives
- Phenylalanine or derivatives
- Alpha-amino acid amide
- Amphetamine or derivatives
- 1-hydroxy-2-unsubstituted benzenoid
- Aralkylamine
- Phenol
- Monocyclic benzene moiety
- N-acyl-amine
- Benzenoid
- Carboxylic acid imide, n-substituted
- Carboxylic acid imide
- Dicarboximide
- Sulfoxide
- Sulfinyl compound
- Organosulfur compound
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Primary aliphatic amine
- Amine
- Organic nitrogen compound
- Carbonyl group
- Organic oxide
- Organic oxygen compound
- Primary amine
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Syndyphalin-33,2TMS,isomer #1 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1 | 4060.5 | Semi standard non polar | 33892256 | Syndyphalin-33,2TMS,isomer #1 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1 | 4293.9 | Standard non polar | 33892256 | Syndyphalin-33,2TMS,isomer #1 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1 | 5490.1 | Standard polar | 33892256 | Syndyphalin-33,2TMS,isomer #2 | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C | 4038.9 | Semi standard non polar | 33892256 | Syndyphalin-33,2TMS,isomer #2 | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C | 4342.6 | Standard non polar | 33892256 | Syndyphalin-33,2TMS,isomer #2 | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C | 5661.4 | Standard polar | 33892256 | Syndyphalin-33,2TMS,isomer #3 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C | 4064.6 | Semi standard non polar | 33892256 | Syndyphalin-33,2TMS,isomer #3 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C | 4346.3 | Standard non polar | 33892256 | Syndyphalin-33,2TMS,isomer #3 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C | 5243.9 | Standard polar | 33892256 | Syndyphalin-33,2TMS,isomer #4 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 4087.7 | Semi standard non polar | 33892256 | Syndyphalin-33,2TMS,isomer #4 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 4378.1 | Standard non polar | 33892256 | Syndyphalin-33,2TMS,isomer #4 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 5696.6 | Standard polar | 33892256 | Syndyphalin-33,2TMS,isomer #5 | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 4083.7 | Semi standard non polar | 33892256 | Syndyphalin-33,2TMS,isomer #5 | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 4456.6 | Standard non polar | 33892256 | Syndyphalin-33,2TMS,isomer #5 | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 5896.4 | Standard polar | 33892256 | Syndyphalin-33,3TMS,isomer #1 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C | 4055.7 | Semi standard non polar | 33892256 | Syndyphalin-33,3TMS,isomer #1 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C | 4357.7 | Standard non polar | 33892256 | Syndyphalin-33,3TMS,isomer #1 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C | 4881.2 | Standard polar | 33892256 | Syndyphalin-33,3TMS,isomer #2 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 4105.5 | Semi standard non polar | 33892256 | Syndyphalin-33,3TMS,isomer #2 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 4388.8 | Standard non polar | 33892256 | Syndyphalin-33,3TMS,isomer #2 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 5276.7 | Standard polar | 33892256 | Syndyphalin-33,3TMS,isomer #3 | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 4102.6 | Semi standard non polar | 33892256 | Syndyphalin-33,3TMS,isomer #3 | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 4455.9 | Standard non polar | 33892256 | Syndyphalin-33,3TMS,isomer #3 | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 5478.8 | Standard polar | 33892256 | Syndyphalin-33,3TMS,isomer #4 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 4088.8 | Semi standard non polar | 33892256 | Syndyphalin-33,3TMS,isomer #4 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 4410.8 | Standard non polar | 33892256 | Syndyphalin-33,3TMS,isomer #4 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 4993.0 | Standard polar | 33892256 | Syndyphalin-33,3TMS,isomer #5 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 4076.7 | Semi standard non polar | 33892256 | Syndyphalin-33,3TMS,isomer #5 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 4435.0 | Standard non polar | 33892256 | Syndyphalin-33,3TMS,isomer #5 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 5021.7 | Standard polar | 33892256 | Syndyphalin-33,4TMS,isomer #1 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 4126.2 | Semi standard non polar | 33892256 | Syndyphalin-33,4TMS,isomer #1 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 4435.2 | Standard non polar | 33892256 | Syndyphalin-33,4TMS,isomer #1 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 4655.5 | Standard polar | 33892256 | Syndyphalin-33,4TMS,isomer #2 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 4118.0 | Semi standard non polar | 33892256 | Syndyphalin-33,4TMS,isomer #2 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 4458.2 | Standard non polar | 33892256 | Syndyphalin-33,4TMS,isomer #2 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C | 4684.6 | Standard polar | 33892256 | Syndyphalin-33,4TMS,isomer #3 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 4240.7 | Semi standard non polar | 33892256 | Syndyphalin-33,4TMS,isomer #3 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 4494.2 | Standard non polar | 33892256 | Syndyphalin-33,4TMS,isomer #3 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 4774.1 | Standard polar | 33892256 | Syndyphalin-33,5TMS,isomer #1 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 4283.7 | Semi standard non polar | 33892256 | Syndyphalin-33,5TMS,isomer #1 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 4538.5 | Standard non polar | 33892256 | Syndyphalin-33,5TMS,isomer #1 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 4488.9 | Standard polar | 33892256 | Syndyphalin-33,2TBDMS,isomer #1 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1 | 4498.7 | Semi standard non polar | 33892256 | Syndyphalin-33,2TBDMS,isomer #1 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1 | 4720.1 | Standard non polar | 33892256 | Syndyphalin-33,2TBDMS,isomer #1 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1 | 5496.8 | Standard polar | 33892256 | Syndyphalin-33,2TBDMS,isomer #2 | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C | 4509.8 | Semi standard non polar | 33892256 | Syndyphalin-33,2TBDMS,isomer #2 | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C | 4773.0 | Standard non polar | 33892256 | Syndyphalin-33,2TBDMS,isomer #2 | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C | 5657.7 | Standard polar | 33892256 | Syndyphalin-33,2TBDMS,isomer #3 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C | 4476.0 | Semi standard non polar | 33892256 | Syndyphalin-33,2TBDMS,isomer #3 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C | 4777.3 | Standard non polar | 33892256 | Syndyphalin-33,2TBDMS,isomer #3 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C | 5277.3 | Standard polar | 33892256 | Syndyphalin-33,2TBDMS,isomer #4 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4520.3 | Semi standard non polar | 33892256 | Syndyphalin-33,2TBDMS,isomer #4 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4720.1 | Standard non polar | 33892256 | Syndyphalin-33,2TBDMS,isomer #4 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 5615.3 | Standard polar | 33892256 | Syndyphalin-33,2TBDMS,isomer #5 | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4519.1 | Semi standard non polar | 33892256 | Syndyphalin-33,2TBDMS,isomer #5 | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4794.4 | Standard non polar | 33892256 | Syndyphalin-33,2TBDMS,isomer #5 | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 5798.9 | Standard polar | 33892256 | Syndyphalin-33,3TBDMS,isomer #1 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C | 4684.5 | Semi standard non polar | 33892256 | Syndyphalin-33,3TBDMS,isomer #1 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C | 4949.0 | Standard non polar | 33892256 | Syndyphalin-33,3TBDMS,isomer #1 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C | 5000.9 | Standard polar | 33892256 | Syndyphalin-33,3TBDMS,isomer #2 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4783.5 | Semi standard non polar | 33892256 | Syndyphalin-33,3TBDMS,isomer #2 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4903.3 | Standard non polar | 33892256 | Syndyphalin-33,3TBDMS,isomer #2 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 5266.4 | Standard polar | 33892256 | Syndyphalin-33,3TBDMS,isomer #3 | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4780.7 | Semi standard non polar | 33892256 | Syndyphalin-33,3TBDMS,isomer #3 | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4975.5 | Standard non polar | 33892256 | Syndyphalin-33,3TBDMS,isomer #3 | CN(CCC1=CC=CC=C1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 5468.9 | Standard polar | 33892256 | Syndyphalin-33,3TBDMS,isomer #4 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4726.9 | Semi standard non polar | 33892256 | Syndyphalin-33,3TBDMS,isomer #4 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4934.9 | Standard non polar | 33892256 | Syndyphalin-33,3TBDMS,isomer #4 | CN(CCC1=CC=CC=C1)C(C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 5049.8 | Standard polar | 33892256 | Syndyphalin-33,3TBDMS,isomer #5 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4713.3 | Semi standard non polar | 33892256 | Syndyphalin-33,3TBDMS,isomer #5 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4955.1 | Standard non polar | 33892256 | Syndyphalin-33,3TBDMS,isomer #5 | CN(CCC1=CC=CC=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 5073.4 | Standard polar | 33892256 |
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