Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-12 02:04:10 UTC |
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Update Date | 2022-03-07 02:56:37 UTC |
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HMDB ID | HMDB0040513 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 2,3-Dehydrosilybin |
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Description | 2,3-Dehydrosilybin belongs to the class of organic compounds known as flavonolignans. These are non-conventional lignans that derived from flavonoids. They are characterized by a p-dioxin ring substituted at one carbon atom by a C3C6 (phenylpropan) group and fused to the B-ring of the 2-phenylchromene moiety. 2,3-Dehydrosilybin has been detected, but not quantified in, several different foods, such as arabica coffees (Coffea arabica), coffee and coffee products, green vegetables, and robusta coffees (Coffea canephora). This could make 2,3-dehydrosilybin a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on 2,3-Dehydrosilybin. |
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Structure | COC1=C(O)C=CC(=C1)C1OC2=C(OC1CO)C=CC(=C2)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1 InChI=1S/C25H20O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,24,26-29,31H,10H2,1H3 |
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Synonyms | Value | Source |
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Dehydrosilybin | ChEMBL, HMDB | 23-Dehydrosilybin | ChEMBL, HMDB | Hepa-merz sil | MeSH, HMDB | Hepatos | MeSH, HMDB | Lagosa | MeSH, HMDB | Durasilymarin | MeSH, HMDB | Heplant | MeSH, HMDB | Legalon forte | MeSH, HMDB | Silibin | MeSH, HMDB | Silibinin | MeSH, HMDB | Silybinin | MeSH, HMDB | Silybin | MeSH, HMDB | Alepa-forte | MeSH, HMDB | Ardeyhepan | MeSH, HMDB | Cefasilymarin | MeSH, HMDB | HepaBesch | MeSH, HMDB | Hepar-pasc | MeSH, HMDB | Heparsyx | MeSH, HMDB | Hepa-loges | MeSH, HMDB | Silybin b | MeSH | 2,3-Dehydrosilybin | MeSH | Silybin a | MeSH | Hepar pasc | MeSH | Silibinin a | MeSH | 2,3 Dehydrosilybin | MeSH | Alepa forte | MeSH | Hepa merz sil | MeSH | Hepa loges | MeSH | Silibinin b | MeSH |
| Show more...
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Chemical Formula | C25H20O10 |
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Average Molecular Weight | 480.4203 |
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Monoisotopic Molecular Weight | 480.10564686 |
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IUPAC Name | 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromen-4-one |
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Traditional Name | 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one |
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CAS Registry Number | 25166-14-7 |
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SMILES | COC1=C(O)C=CC(=C1)C1OC2=C(OC1CO)C=CC(=C2)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1 |
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InChI Identifier | InChI=1S/C25H20O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,24,26-29,31H,10H2,1H3 |
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InChI Key | BVKQRAYKLBRNIK-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as flavonolignans. These are non-conventional lignans that derived from flavonoids. They are characterized by a p-dioxin ring substituted at one carbon atom by a C3C6 (phenylpropan) group and fused to the B-ring of the 2-phenylchromene moiety. |
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Kingdom | Organic compounds |
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Super Class | Lignans, neolignans and related compounds |
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Class | Flavonolignans |
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Sub Class | Not Available |
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Direct Parent | Flavonolignans |
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Alternative Parents | |
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Substituents | - Flavonolignan
- 3-hydroxyflavone
- 3-hydroxyflavonoid
- 5-hydroxyflavonoid
- 7-hydroxyflavonoid
- Flavone
- Hydroxyflavonoid
- 2-phenylbenzo-1,4-dioxane
- Phenylbenzodioxane
- Chromone
- Benzo-1,4-dioxane
- Benzodioxane
- Benzopyran
- Methoxyphenol
- 1-benzopyran
- Phenoxy compound
- Anisole
- Methoxybenzene
- Phenol ether
- Phenol
- Pyranone
- Alkyl aryl ether
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Para-dioxin
- Pyran
- Benzenoid
- Monocyclic benzene moiety
- Vinylogous acid
- Heteroaromatic compound
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Ether
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Primary alcohol
- Organooxygen compound
- Alcohol
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic 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 | |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | 254 - 255 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 45.29 mg/L @ 25 °C (est) | The Good Scents Company Information System | 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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2,3-Dehydrosilybin,1TMS,isomer #1 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O)C=C(O)C=C5O4)=CC=C3OC2CO)=CC=C1O[Si](C)(C)C | 4672.9 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,1TMS,isomer #2 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O)C=C(O)C=C5O4)=CC=C3OC2CO[Si](C)(C)C)=CC=C1O | 4682.2 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,1TMS,isomer #3 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C)C(=O)C5=C(O)C=C(O)C=C5O4)=CC=C3OC2CO)=CC=C1O | 4653.6 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,1TMS,isomer #4 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O[Si](C)(C)C)C=C(O)C=C5O4)=CC=C3OC2CO)=CC=C1O | 4673.2 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,1TMS,isomer #5 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O)C=C(O[Si](C)(C)C)C=C5O4)=CC=C3OC2CO)=CC=C1O | 4716.8 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TMS,isomer #1 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O)C=C(O[Si](C)(C)C)C=C5O4)=CC=C3OC2CO)=CC=C1O[Si](C)(C)C | 4539.9 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TMS,isomer #10 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C5O4)=CC=C3OC2CO)=CC=C1O | 4580.0 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TMS,isomer #2 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O[Si](C)(C)C)C=C(O)C=C5O4)=CC=C3OC2CO)=CC=C1O[Si](C)(C)C | 4512.2 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TMS,isomer #3 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C)C(=O)C5=C(O)C=C(O)C=C5O4)=CC=C3OC2CO)=CC=C1O[Si](C)(C)C | 4500.3 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TMS,isomer #4 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O)C=C(O)C=C5O4)=CC=C3OC2CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 4515.2 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TMS,isomer #5 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O)C=C(O[Si](C)(C)C)C=C5O4)=CC=C3OC2CO[Si](C)(C)C)=CC=C1O | 4520.7 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TMS,isomer #6 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O[Si](C)(C)C)C=C(O)C=C5O4)=CC=C3OC2CO[Si](C)(C)C)=CC=C1O | 4492.4 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TMS,isomer #7 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C)C(=O)C5=C(O)C=C(O)C=C5O4)=CC=C3OC2CO[Si](C)(C)C)=CC=C1O | 4459.4 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TMS,isomer #8 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C)C(=O)C5=C(O)C=C(O[Si](C)(C)C)C=C5O4)=CC=C3OC2CO)=CC=C1O | 4525.2 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TMS,isomer #9 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C)C(=O)C5=C(O[Si](C)(C)C)C=C(O)C=C5O4)=CC=C3OC2CO)=CC=C1O | 4512.6 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TMS,isomer #1 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C5O4)=CC=C3OC2CO)=CC=C1O[Si](C)(C)C | 4454.6 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TMS,isomer #10 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C)C(=O)C5=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C5O4)=CC=C3OC2CO)=CC=C1O | 4442.6 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TMS,isomer #2 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C)C(=O)C5=C(O)C=C(O[Si](C)(C)C)C=C5O4)=CC=C3OC2CO)=CC=C1O[Si](C)(C)C | 4383.7 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TMS,isomer #3 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O)C=C(O[Si](C)(C)C)C=C5O4)=CC=C3OC2CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 4353.6 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TMS,isomer #4 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C)C(=O)C5=C(O[Si](C)(C)C)C=C(O)C=C5O4)=CC=C3OC2CO)=CC=C1O[Si](C)(C)C | 4359.8 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TMS,isomer #5 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O[Si](C)(C)C)C=C(O)C=C5O4)=CC=C3OC2CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 4319.4 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TMS,isomer #6 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C)C(=O)C5=C(O)C=C(O)C=C5O4)=CC=C3OC2CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 4331.1 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TMS,isomer #7 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C5O4)=CC=C3OC2CO[Si](C)(C)C)=CC=C1O | 4360.2 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TMS,isomer #8 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C)C(=O)C5=C(O)C=C(O[Si](C)(C)C)C=C5O4)=CC=C3OC2CO[Si](C)(C)C)=CC=C1O | 4298.7 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TMS,isomer #9 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C)C(=O)C5=C(O[Si](C)(C)C)C=C(O)C=C5O4)=CC=C3OC2CO[Si](C)(C)C)=CC=C1O | 4286.1 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,4TMS,isomer #1 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C)C(=O)C5=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C5O4)=CC=C3OC2CO)=CC=C1O[Si](C)(C)C | 4359.3 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,4TMS,isomer #2 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C5O4)=CC=C3OC2CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 4272.4 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,4TMS,isomer #3 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C)C(=O)C5=C(O)C=C(O[Si](C)(C)C)C=C5O4)=CC=C3OC2CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 4217.6 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,4TMS,isomer #4 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C)C(=O)C5=C(O[Si](C)(C)C)C=C(O)C=C5O4)=CC=C3OC2CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 4200.8 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,4TMS,isomer #5 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C)C(=O)C5=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C5O4)=CC=C3OC2CO[Si](C)(C)C)=CC=C1O | 4249.7 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,5TMS,isomer #1 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C)C(=O)C5=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C5O4)=CC=C3OC2CO[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 4202.5 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,1TBDMS,isomer #1 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O)C=C(O)C=C5O4)=CC=C3OC2CO)=CC=C1O[Si](C)(C)C(C)(C)C | 4957.5 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,1TBDMS,isomer #2 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O)C=C(O)C=C5O4)=CC=C3OC2CO[Si](C)(C)C(C)(C)C)=CC=C1O | 4972.6 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,1TBDMS,isomer #3 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C(C)(C)C)C(=O)C5=C(O)C=C(O)C=C5O4)=CC=C3OC2CO)=CC=C1O | 4943.4 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,1TBDMS,isomer #4 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C5O4)=CC=C3OC2CO)=CC=C1O | 4957.8 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,1TBDMS,isomer #5 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C5O4)=CC=C3OC2CO)=CC=C1O | 4985.0 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TBDMS,isomer #1 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C5O4)=CC=C3OC2CO)=CC=C1O[Si](C)(C)C(C)(C)C | 5110.9 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TBDMS,isomer #10 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C5O4)=CC=C3OC2CO)=CC=C1O | 5117.5 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TBDMS,isomer #2 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C5O4)=CC=C3OC2CO)=CC=C1O[Si](C)(C)C(C)(C)C | 5079.9 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TBDMS,isomer #3 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C(C)(C)C)C(=O)C5=C(O)C=C(O)C=C5O4)=CC=C3OC2CO)=CC=C1O[Si](C)(C)C(C)(C)C | 5056.1 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TBDMS,isomer #4 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O)C=C(O)C=C5O4)=CC=C3OC2CO[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C | 5063.0 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TBDMS,isomer #5 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C5O4)=CC=C3OC2CO[Si](C)(C)C(C)(C)C)=CC=C1O | 5078.7 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TBDMS,isomer #6 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C5O4)=CC=C3OC2CO[Si](C)(C)C(C)(C)C)=CC=C1O | 5045.1 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TBDMS,isomer #7 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C(C)(C)C)C(=O)C5=C(O)C=C(O)C=C5O4)=CC=C3OC2CO[Si](C)(C)C(C)(C)C)=CC=C1O | 5007.6 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TBDMS,isomer #8 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C(C)(C)C)C(=O)C5=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C5O4)=CC=C3OC2CO)=CC=C1O | 5071.6 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,2TBDMS,isomer #9 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C(C)(C)C)C(=O)C5=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C5O4)=CC=C3OC2CO)=CC=C1O | 5065.1 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TBDMS,isomer #1 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C5O4)=CC=C3OC2CO)=CC=C1O[Si](C)(C)C(C)(C)C | 5232.3 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TBDMS,isomer #10 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C(C)(C)C)C(=O)C5=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C5O4)=CC=C3OC2CO)=CC=C1O | 5168.7 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TBDMS,isomer #2 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C(C)(C)C)C(=O)C5=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C5O4)=CC=C3OC2CO)=CC=C1O[Si](C)(C)C(C)(C)C | 5157.6 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TBDMS,isomer #3 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C5O4)=CC=C3OC2CO[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C | 5151.3 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TBDMS,isomer #4 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C(C)(C)C)C(=O)C5=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C5O4)=CC=C3OC2CO)=CC=C1O[Si](C)(C)C(C)(C)C | 5141.6 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TBDMS,isomer #5 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C5O4)=CC=C3OC2CO[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C | 5112.3 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TBDMS,isomer #6 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C(C)(C)C)C(=O)C5=C(O)C=C(O)C=C5O4)=CC=C3OC2CO[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C | 5069.5 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TBDMS,isomer #7 | COC1=CC(C2OC3=CC(C4=C(O)C(=O)C5=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C5O4)=CC=C3OC2CO[Si](C)(C)C(C)(C)C)=CC=C1O | 5165.7 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TBDMS,isomer #8 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C(C)(C)C)C(=O)C5=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C5O4)=CC=C3OC2CO[Si](C)(C)C(C)(C)C)=CC=C1O | 5052.1 | Semi standard non polar | 33892256 | 2,3-Dehydrosilybin,3TBDMS,isomer #9 | COC1=CC(C2OC3=CC(C4=C(O[Si](C)(C)C(C)(C)C)C(=O)C5=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C5O4)=CC=C3OC2CO[Si](C)(C)C(C)(C)C)=CC=C1O | 5041.1 | Semi standard non polar | 33892256 |
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