| SpectraBase Compound ID | 71bnkDB1AOY |
|---|---|
| InChI | InChI=1S/C28H44O6/c1-16(13-26(31)32-6)22-9-10-23-21-8-7-19-14-20(33-17(2)29)11-12-27(19,4)24(21)15-25(28(22,23)5)34-18(3)30/h16,19-25H,7-15H2,1-6H3 |
| InChIKey | JFWMQMQYQMZQHZ-UHFFFAOYSA-N |
| Mol Weight | 476.7 g/mol |
| Molecular Formula | C28H44O6 |
| Exact Mass | 476.313789 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Cc9yCuMNYZc |
|---|---|
| Name | 24-Norcholan-23-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3.alpha.,5.beta.,12.alpha.)- |
| CAS Registry Number | 60354-47-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O6 |
| InChI | InChI=1S/C28H44O6/c1-16(13-26(31)32-6)22-9-10-23-21-8-7-19-14-20(33-17(2)29)11-12-27(19,4)24(21)15-25(28(22,23)5)34-18(3)30/h16,19-25H,7-15H2,1-6H3 |
| InChIKey | JFWMQMQYQMZQHZ-UHFFFAOYSA-N |
| Molecular Weight | 476.654 g/mol |
| SMILES | CC(CC(=O)OC)C1CCC2C1(C(CC1C2CCC2C1(CCC(C2)OC(=O)C)C)OC(=O)C)C |
| SPLASH | splash10-0a4i-0941000000-c2937032db53caa2b6a7 |
| Source of Spectrum | W5-36242-29294-29294 |
| Synonyms | 3-(3,12-diacetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butyric acid methyl ester 3-(3,12-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid methyl ester Methyl 3-(3,12-diacetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoate Methyl 3-(3,12-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoate |
| Wiley ID | 1394385 |