| SpectraBase Compound ID | CSk7bWZVgdo |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-26(2)22-10-13-30(6)23(28(22,4)12-11-24(26)33)9-8-20-21-18-27(3,19-32)14-16-31(21,25(34)35-7)17-15-29(20,30)5/h8,21-24,32-33H,9-19H2,1-7H3 |
| InChIKey | APWKRIUMZUJNPQ-UHFFFAOYSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9TyJ6YlCT4h |
|---|---|
| Name | Olean-12-en-28-oic acid, 3,29-dihydroxy-, methyl ester, (3.beta.,20.alpha.)- |
| CAS Registry Number | 4891-77-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-26(2)22-10-13-30(6)23(28(22,4)12-11-24(26)33)9-8-20-21-18-27(3,19-32)14-16-31(21,25(34)35-7)17-15-29(20,30)5/h8,21-24,32-33H,9-19H2,1-7H3 |
| InChIKey | APWKRIUMZUJNPQ-UHFFFAOYSA-N |
| Molecular Weight | 486.737 g/mol |
| SMILES | OC1CCC2(C(CCC3(C2CC=C2C3(CCC3(C2CC(CO)(CC3)C)C(OC)=O)C)C)C1(C)C)C |
| SPLASH | splash10-0002-0090100000-389e9b320c98dc67f5cf |
| Source of Spectrum | AD-0-1246-0 |
| Synonyms | Methyl 3,29-dihydroxyolean-12-en-28-oate 10-hydroxy-2,6a,6b,9,9,12a-hexamethyl-2-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid methyl ester 10-hydroxy-2-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid methyl ester Methyl 10-hydroxy-2-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate Methyl 2-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate Olean-12-en-28-oic acid, 3.beta.,29-dihydroxy-, methyl ester |
| Wiley ID | 1396569 |