| SpectraBase Compound ID | G1fbAZ9lf5f |
|---|---|
| InChI | InChI=1S/C27H42O4/c1-17(9-14-25(29)30-5)21-12-13-22-20-11-10-19-8-6-7-15-26(19,3)23(20)16-24(27(21,22)4)31-18(2)28/h6,8,17,19-24H,7,9-16H2,1-5H3 |
| InChIKey | NQUGTZBRUBTFLM-UHFFFAOYSA-N |
| Mol Weight | 430.6 g/mol |
| Molecular Formula | C27H42O4 |
| Exact Mass | 430.30831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3fFILU6yzwt |
|---|---|
| Name | Chol-3-en-24-oic acid, 12-(acetyloxy)-, methyl ester, (5.beta.,12.alpha.)- |
| CAS Registry Number | 60354-34-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O4 |
| InChI | InChI=1S/C27H42O4/c1-17(9-14-25(29)30-5)21-12-13-22-20-11-10-19-8-6-7-15-26(19,3)23(20)16-24(27(21,22)4)31-18(2)28/h6,8,17,19-24H,7,9-16H2,1-5H3 |
| InChIKey | NQUGTZBRUBTFLM-UHFFFAOYSA-N |
| Molecular Weight | 430.629 g/mol |
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(CC1C2CCC2C1(CCC=C2)C)OC(=O)C)C |
| SPLASH | splash10-0a4i-0931000000-6e5efbf60e76bcb22e20 |
| Source of Spectrum | W5-34857-30679-30679 |
| Synonyms | Methyl 12-(acetyloxy)chol-3-en-24-oate 4-(12-acetoxy-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)valeric acid methyl ester 4-(12-acetyloxy-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester Methyl 4-(12-acetoxy-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-(12-acetyloxy-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate |
| Wiley ID | 1381711 |