| SpectraBase Spectrum ID |
B3MTAiwpJsO |
| Name |
(22E)-5.alpha.-Cholesta-7,9(11),22-triene-3.beta.,6.alpha.-diol |
| Alternate Name(s) |
(3beta,5alpha,6alpha,22E)-cholesta-7,9(11),22-triene-3,6-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H42O2 |
| InChI |
InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h6,8,12,16-19,21-22,24-25,28-29H,7,9-11,13-15H2,1-5H3/b8-6+/t18-,19+,21-,22+,24-,25+,26-,27-/m1/s1 |
| InChIKey |
BWCCVGZYFCAUTI-NPRGJANLSA-N |
| Molecular Weight |
398.631 g/mol |
| SMILES |
O[C@@]1([C@@]2([C@](CC[C@@](C2)(O)[H])(C2=CC[C@@]3([C@](CC[C@]3(C2=C1)[H])([C@@](\C=C\CC(C)C)(C)[H])[H])C)C)[H])[H] |
| SPLASH |
splash10-014i-0069000000-dc48e0df85f9c7cdacd2 |
| Source of Spectrum |
X2-52-960-11 |
| Wiley ID |
1603252 |
