| SpectraBase Compound ID | 5X00LfBekPm |
|---|---|
| InChI | InChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-23H,10-19H2,1-8H3 |
| InChIKey | PPMUFCXCVKVCSV-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 | AEAJACCRq3i |
|---|---|
| Name | Olean-12-en-28-oic acid, 3-oxo-, methyl ester |
| CAS Registry Number | 1721-58-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H48O3 |
| InChI | InChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-23H,10-19H2,1-8H3 |
| InChIKey | PPMUFCXCVKVCSV-UHFFFAOYSA-N |
| Molecular Weight | 468.722 g/mol |
| SMILES | C(OC)(=O)C12C(C=3C(CC2)(C)C2(C)C(CC3)C3(C)C(CC2)C(C)(C)C(CC3)=O)CC(CC1)(C)C |
| SPLASH | splash10-0udi-1390100000-bc74595166823f9121ee |
| Source of Spectrum | Va-0-0-0 |
| Synonyms | Methyl 3-oxoolean-12-en-28-oate 10-keto-2,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid methyl ester 2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid methyl ester Methyl 2,2,6a,6b,9,9,12a-heptamethyl-10-oxidanylidene-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate Methyl 2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate Methyl oleanonate |
| Wiley ID | 741844 |