| SpectraBase Spectrum ID |
81I6uB5OBJz |
| Name |
7alpha,12alpha-Dihydroxy-5beta-chol-3-enoic acid-methylester |
| Alternate Name(s) |
Methyl (R)-4-((5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-2,5,6,7,8,9,10,11,12,13,14,15,16,17-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/h5,7,15-21,23,26-27H,6,8-14H2,1-4H3/t15-,16+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1 |
| InChIKey |
UYNYCDBHORSDKX-KGFCUSQPSA-N |
| Molecular Weight |
404.591 g/mol |
| SMILES |
O[C@]1(C[C@]2([C@@]([C@@](C[C@@]3(C=CCC[C@]23C)[H])(O)[H])([C@]2([C@@]1(C)[C@](CC2)([C@](C)(CCC(OC)=O)[H])[H])[H])[H])[H])[H] |
| SPLASH |
splash10-0udi-0094000000-f9dca699efc50b3a6ea7 |
| Source of Spectrum |
APC-314-125-12 |
| Wiley ID |
1787901 |
