| SpectraBase Spectrum ID |
H0WZ0TCNbFs |
| Name |
3.beta.-Hydroxycholesta-5,22-diene-7,24-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H40O3 |
| InChI |
InChI=1S/C27H40O3/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/h6,9,15-17,19-22,25,28H,7-8,10-14H2,1-5H3/b9-6+/t17-,19+,20-,21+,22+,25+,26+,27-/m1/s1 |
| InChIKey |
SSLWARVWYFRUNX-LJOQRMMCSA-N |
| Molecular Weight |
412.614 g/mol |
| SMILES |
O[C@]1(CC[C@]2(C(C1)=CC([C@]1([C@@]3(CC[C@]([C@@](\C=C\C(C(C)C)=O)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])=O)C)[H] |
| SPLASH |
splash10-014r-0092000000-79e710e05cac04e2ac22 |
| Source of Spectrum |
X2-56-285-12 |
| Synonyms |
(3beta,22E)-3-hydroxycholesta-5,22-diene-7,24-dione |
| Wiley ID |
1604768 |
