CID 11954196
(24s)-cholest-5-ene-3beta,7alpha,24-triol
Structural Information
- Molecular Formula
- C27H46O3
- SMILES
- C[C@H](CC[C@@H](C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C
- InChI
- InChI=1S/C27H46O3/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/h15-17,19-25,28-30H,6-14H2,1-5H3/t17-,19+,20-,21+,22+,23+,24-,25+,26+,27-/m1/s1
- InChIKey
- ZNCHPOYZMVVJCK-LIZWOPGQSA-N
- Compound name
- (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 419.35198 | 210.5 |
[M+Na]+ | 441.33392 | 211.0 |
[M-H]- | 417.33742 | 209.3 |
[M+NH4]+ | 436.37852 | 227.3 |
[M+K]+ | 457.30786 | 205.3 |
[M+H-H2O]+ | 401.34196 | 205.5 |
[M+HCOO]- | 463.34290 | 210.9 |
[M+CH3COO]- | 477.35855 | 227.4 |
[M+Na-2H]- | 439.31937 | 203.0 |
[M]+ | 418.34415 | 202.8 |
[M]- | 418.34525 | 202.8 |