| SpectraBase Spectrum ID |
4NqOF7CxOb0 |
| Name |
3.alpha.,7.alpha.,12.alpha.-trihydroxycoprostane |
| Alternate Name(s) |
(3alpha,7alpha,12alpha)-cholestane-3,7,12-triol
(3R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H48O3 |
| InChI |
InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-25,28-30H,6-15H2,1-5H3/t17-,18?,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey |
RIVQQZVHIVNQFH-LUDCKKLCSA-N |
| Molecular Weight |
420.678 g/mol |
| SMILES |
O[C@@]1([C@]2([C@]([C@@]3([C@@](CC4[C@@]([C@]3(C1)[H])(CC[C@](C4)(O)[H])C)(O)[H])[H])(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H] |
| SPLASH |
splash10-0536-9421000000-9075f39e05db452d38cc |
| Source of Spectrum |
AY-1-386-31 |
| Wiley ID |
58817 |
