4,14,15,16,20-Pentahydroxy-4,9-epoxycevan-3-yl 3,4-dimethoxybenzoate (Veratroylzygadenine) (CHEM114456)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 01:49:05 UTC | ||||||||
| Update Date | 2026-05-21 01:23:49 UTC | ||||||||
| Accession Number | CHEM114456 | ||||||||
| Identification | |||||||||
| Common Name | 4,14,15,16,20-Pentahydroxy-4,9-epoxycevan-3-yl 3,4-dimethoxybenzoate (Veratroylzygadenine) | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C36H51NO10 | ||||||||
| Average Molecular Mass | 657.801 g/mol | ||||||||
| Monoisotopic Mass | 657.351 g/mol | ||||||||
| CAS Registry Number | 1329-58-5 | ||||||||
| IUPAC Name | (3S,5xi,8xi,12xi,13xi,17xi)-4alpha,14,15alpha,16beta,20-Pentahydroxy-20xi-4,9-epoxycevan-3-yl 3,4-dimethoxybenzoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H]C12C[C@@]34O[C@@]5(O)C([H])(CCC3([H])[C@]1(O)[C@@]([H])(O)[C@]([H])(O)C1([H])C2([H])CN2C[C@@]([H])(C)CC[C@@]2([H])C1(C)O)[C@]4(C)CC[C@]5([H])OC(=O)C1=CC(OC)=C(OC)C=C1 | ||||||||
| InChI Identifier | InChI=1S/C36H51NO10/c1-18-6-11-26-33(3,41)28-20(17-37(26)16-18)21-15-34-25(35(21,42)30(39)29(28)38)10-9-24-32(34,2)13-12-27(36(24,43)47-34)46-31(40)19-7-8-22(44-4)23(14-19)45-5/h7-8,14,18,20-21,24-30,38-39,41-43H,6,9-13,15-17H2,1-5H3/t18-,20?,21?,24?,25?,26-,27-,28?,29+,30-,32-,33?,34+,35-,36-/m0/s1 | ||||||||
| InChI Key | LQZYJVWXEFXUJG-QWOBAWLGSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
