| SpectraBase Compound ID | 76IOAqQK91f |
|---|---|
| InChI | InChI=1S/C25H40O3/c1-16(8-13-23(27)28-4)19-11-12-20-18-10-9-17-7-5-6-14-24(17,2)21(18)15-22(26)25(19,20)3/h10,16-17,19-22,26H,5-9,11-15H2,1-4H3 |
| InChIKey | QQJNVDBIBCZJNK-UHFFFAOYSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C25H40O3 |
| Exact Mass | 388.297745 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HEngedJE2Kz |
|---|---|
| Name | Chol-7-en-24-oic acid, 12-hydroxy-, methyl ester, (5.beta.,12.alpha.)- |
| CAS Registry Number | 54411-72-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H40O3 |
| InChI | InChI=1S/C25H40O3/c1-16(8-13-23(27)28-4)19-11-12-20-18-10-9-17-7-5-6-14-24(17,2)21(18)15-22(26)25(19,20)3/h10,16-17,19-22,26H,5-9,11-15H2,1-4H3 |
| InChIKey | QQJNVDBIBCZJNK-UHFFFAOYSA-N |
| Molecular Weight | 388.592 g/mol |
| SMILES | OC1C2(C)C(C=3C(C1)C1(C)C(CC3)CCCC1)CCC2C(CCC(OC)=O)C |
| SPLASH | splash10-0a4i-4492000000-f8e6a034053d1bb22bc1 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | Methyl 12-hydroxychol-7-en-24-oate 4-(12-hydroxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester 4-(12-hydroxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)valeric acid methyl ester Methyl 4-(10,13-dimethyl-12-oxidanyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-(12-hydroxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate |
| Wiley ID | 1364118 |