| SpectraBase Compound ID | 2DqJlnJO0G2 |
|---|---|
| InChI | InChI=1S/C27H42O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h13,15,17,19-24H,6-12,14,16H2,1-5H3 |
| InChIKey | SWHWAFFISKDSIL-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 | GjKyB0SULBS |
|---|---|
| Name | Chol-11-en-24-oic acid, 3-(acetyloxy)-, methyl ester, (3.alpha.,5.beta.)- |
| CAS Registry Number | 2242-12-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O4 |
| InChI | InChI=1S/C27H42O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h13,15,17,19-24H,6-12,14,16H2,1-5H3 |
| InChIKey | SWHWAFFISKDSIL-UHFFFAOYSA-N |
| Molecular Weight | 430.629 g/mol |
| SMILES | CC12C(C3C(C4(C)C(CC(OC(C)=O)CC4)CC3)C=C1)CCC2C(CCC(OC)=O)C |
| SPLASH | splash10-0a4j-0931000000-5a18913f2c1b68d640ac |
| Source of Spectrum | W5-34848-30688-30688 |
| Synonyms | Methyl 3-(acetyloxy)chol-11-en-24-oate 4-(3-acetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)valeric acid methyl ester 4-(3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester Methyl 4-(3-acetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-(3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate |
| Wiley ID | 1381713 |