| SpectraBase Spectrum ID |
CxQq3LoUpZv |
| Name |
3.beta.-Hydroxycholest-5-ene-7,24-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H42O3 |
| InChI |
InChI=1S/C27H42O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15-17,19-22,25,28H,6-14H2,1-5H3/t17-,19+,20-,21+,22+,25+,26+,27-/m1/s1 |
| InChIKey |
GTVGEFKOFCNASA-XVHYEFMISA-N |
| Molecular Weight |
414.630 g/mol |
| SMILES |
O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C(C=C2C1)=O)[H])(CC[C@@]4([C@@](CCC(=O)C(C)C)(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH |
splash10-03dj-0004900000-3c30bcc8cc9d625063f3 |
| Source of Spectrum |
X2-56-285-13 |
| Synonyms |
(3beta)-3-hydroxycholest-5-ene-7,24-dione |
| Wiley ID |
1604767 |
