4,14,15,16,20-Pentahydroxy-4,9-epoxycevan-3-yl 4-hydroxy-3-methoxybenzoate (Vanilloylzygadenine) (CHEM114430)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 01:47:25 UTC | ||||||||
| Update Date | 2026-05-21 01:21:27 UTC | ||||||||
| Accession Number | CHEM114430 | ||||||||
| Identification | |||||||||
| Common Name | 4,14,15,16,20-Pentahydroxy-4,9-epoxycevan-3-yl 4-hydroxy-3-methoxybenzoate (Vanilloylzygadenine) | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C35H49NO10 | ||||||||
| Average Molecular Mass | 643.774 g/mol | ||||||||
| Monoisotopic Mass | 643.336 g/mol | ||||||||
| CAS Registry Number | 67370-01-8 | ||||||||
| IUPAC Name | (3S,5xi,8xi,12xi,13xi,17xi)-4beta,14,15alpha,16beta,20-Pentahydroxy-9beta,20xi-4,9-epoxycevan-3-yl 4-hydroxy-3-methoxybenzoate | ||||||||
| 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(O)C=C1 | ||||||||
| InChI Identifier | InChI=1S/C35H49NO10/c1-17-5-10-25-32(3,41)27-19(16-36(25)15-17)20-14-33-24(34(20,42)29(39)28(27)38)9-8-23-31(33,2)12-11-26(35(23,43)46-33)45-30(40)18-6-7-21(37)22(13-18)44-4/h6-7,13,17,19-20,23-29,37-39,41-43H,5,8-12,14-16H2,1-4H3/t17-,19?,20?,23?,24?,25-,26-,27?,28+,29-,31-,32?,33-,34-,35+/m0/s1 | ||||||||
| InChI Key | NIEIJAOPLMFSMK-IQOHJQIWSA-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 | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
