| SpectraBase Spectrum ID |
GCmaufei9qB |
| Name |
7alpha,12alpha-Dihydroxy-5beta-chol-2-enoic acid-methylester |
| Alternate Name(s) |
Methyl (R)-4-((5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H40O4 |
| InChI |
InChI=1S/C25H40O4/c1-15(8-11-22(28)29-4)17-9-10-18-23-19(14-21(27)25(17,18)3)24(2)12-6-5-7-16(24)13-20(23)26/h5-6,15-21,23,26-27H,7-14H2,1-4H3/t15-,16+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1 |
| InChIKey |
WORLYKPLNOTUAH-KGFCUSQPSA-N |
| Molecular Weight |
404.591 g/mol |
| SMILES |
O[C@@]1([C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@]3(O)[H])(CC=CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@](C)(CCC(=O)OC)[H])[H])[H])C)[H] |
| SPLASH |
splash10-0udi-0593000000-fe99d92340e9c7e6148c |
| Source of Spectrum |
APC-314-124-11 |
| Wiley ID |
1787900 |
