| SpectraBase Spectrum ID |
3gUqKjObdkX |
| Name |
24-Keto-5.alpha.-cholesta-7,25(26)-diene-3.beta.,6.alpha.-diol |
| Alternate Name(s) |
(3beta,5alpha,6alpha)-3,6-dihydroxycholesta-7,25(27)-dien-24-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H42O3 |
| InChI |
InChI=1S/C27H42O3/c1-16(2)24(29)9-6-17(3)20-7-8-21-19-15-25(30)23-14-18(28)10-12-27(23,5)22(19)11-13-26(20,21)4/h15,17-18,20-23,25,28,30H,1,6-14H2,2-5H3/t17-,18+,20-,21+,22+,23-,25+,26-,27-/m1/s1 |
| InChIKey |
YBWSXAUKFPZART-ORIAKGNISA-N |
| Molecular Weight |
414.630 g/mol |
| SMILES |
O[C@@]1([C@@]2([C@](CC[C@@](C2)(O)[H])([C@]2(CC[C@@]3([C@](CC[C@]3(C2=C1)[H])([C@@](CCC(C(=C)C)=O)(C)[H])[H])C)[H])C)[H])[H] |
| SPLASH |
splash10-03mi-0093000000-4ab72f41b39f5b83df7d |
| Source of Spectrum |
X2-52-959-10 |
| Wiley ID |
1603253 |
