| SpectraBase Compound ID | JBT5CchcH6N |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-19-11-16-31(25(33)35-8)18-17-28(5)20(24(31)30(19,7)34)9-10-22-27(4)14-13-23(32)26(2,3)21(27)12-15-29(22,28)6/h9,19,21-24,32,34H,10-18H2,1-8H3 |
| InChIKey | KVKFKYPXEAKDHI-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 | 9FgddmEH1W9 |
|---|---|
| Name | Urs-12-en-28-oic acid, 3,19-dihydroxy-, methyl ester, (3.beta.)- |
| CAS Registry Number | 14511-72-9 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-19-11-16-31(25(33)35-8)18-17-28(5)20(24(31)30(19,7)34)9-10-22-27(4)14-13-23(32)26(2,3)21(27)12-15-29(22,28)6/h9,19,21-24,32,34H,10-18H2,1-8H3 |
| InChIKey | KVKFKYPXEAKDHI-UHFFFAOYSA-N |
| Molecular Weight | 486.737 g/mol |
| SMILES | OC1CCC2(C(CCC3(C2CC=C2C3(CCC3(C2C(C(CC3)C)(C)O)C(OC)=O)C)C)C1(C)C)C |
| SPLASH | splash10-004i-0950200000-f3871c4ca3586ed222aa |
| Source of Spectrum | T-67-4992-0 |
| Synonyms | Methyl 3,19-dihydroxyurs-12-en-28-oate 1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid methyl ester Benthamic acid methyl ester Methyl 1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate Methyl 1,2,6a,6b,9,9,12a-heptamethyl-1,10-bis(oxidanyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate Randialic acid A, methyl ester Urs-12-en-28-oic acid, 3.beta.,19-dihydroxy-, methyl ester |
| Wiley ID | 1396568 |