| SpectraBase Compound ID | 3OIF7mF4T9S |
|---|---|
| InChI | InChI=1S/C31H48O3/c1-19-11-14-27(3)17-18-29(5)21(25(27)20(19)2)9-10-22-28(4)15-13-24(32)31(7,26(33)34-8)23(28)12-16-30(22,29)6/h9,19-20,22-23,25H,10-18H2,1-8H3 |
| InChIKey | DWWPSRGTSZHWME-UHFFFAOYSA-N |
| Mol Weight | 468.7 g/mol |
| Molecular Formula | C31H48O3 |
| Exact Mass | 468.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 94Q1xv8Vm8W |
|---|---|
| Name | Urs-12-en-24-oic acid, 3-oxo-, methyl ester, (+)- |
| CAS Registry Number | 20475-86-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H48O3 |
| InChI | InChI=1S/C31H48O3/c1-19-11-14-27(3)17-18-29(5)21(25(27)20(19)2)9-10-22-28(4)15-13-24(32)31(7,26(33)34-8)23(28)12-16-30(22,29)6/h9,19-20,22-23,25H,10-18H2,1-8H3 |
| InChIKey | DWWPSRGTSZHWME-UHFFFAOYSA-N |
| Molecular Weight | 468.722 g/mol |
| SMILES | C12(C)C3(C)C(C4C(CC3)(C)CCC(C4C)C)=CCC2C2(C)C(CC1)C(C(OC)=O)(C)C(CC2)=O |
| SPLASH | splash10-014i-0290000000-5ec964c75d9895300152 |
| Source of Spectrum | Va-0-0-0 |
| Synonyms | Methyl 3-oxours-12-en-23-oate 3-keto-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid methyl ester 4,6a,6b,8a,11,12,14b-heptamethyl-3-oxo-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid methyl ester Methyl 4,6a,6b,8a,11,12,14b-heptamethyl-3-oxidanylidene-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicene-4-carboxylate Methyl 4,6a,6b,8a,11,12,14b-heptamethyl-3-oxo-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicene-4-carboxylate Urs-12-en-24-oic acid, 3-oxo-, methyl ester |
| Wiley ID | 739173 |