| SpectraBase Spectrum ID |
JyakKQ8eGJU |
| Name |
12alpha-Hydroxy-5beta-chol-3-enoic acid-methylester |
| 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/h5,7,16-22,26H,6,8-15H2,1-4H3/t16-,17+,18+,19-,20+,21+,22+,24+,25-/m1/s1 |
| InChIKey |
HDXFKPPIKDSQGU-HFCBJCDPSA-N |
| Molecular Weight |
388.592 g/mol |
| SMILES |
O[C@]1(C[C@@]2([C@]3(CCC=C[C@]3(CC[C@]2([C@]2([C@]1([C@](CC2)([C@](C)(CCC(=O)OC)[H])[H])C)[H])[H])[H])C)[H])[H] |
| SPLASH |
splash10-0a4i-0097000000-4039434d9d22ba3e378e |
| Source of Spectrum |
APC-314-122-4 |
| Synonyms |
Methyl (R)-4-((5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-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 |
| Wiley ID |
1787908 |
