CID 5284074
5beta-chola-3,8(14),11-trien-24-oic acid
Structural Information
- Molecular Formula
- C24H34O2
- SMILES
- C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4C=CCC[C@@]4([C@H]3C=C[C@]12C)C
- InChI
- InChI=1S/C24H34O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h4,6,13,15-17,19,21H,5,7-12,14H2,1-3H3,(H,25,26)/t16-,17+,19-,21+,23+,24-/m1/s1
- InChIKey
- SDCFNOCWBVAGES-LVARZUFQSA-N
- Compound name
- (4R)-4-[(5R,9R,10S,13R,17R)-10,13-dimethyl-2,5,6,7,9,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 355.26318 | 192.3 |
[M+Na]+ | 377.24512 | 196.0 |
[M-H]- | 353.24862 | 195.0 |
[M+NH4]+ | 372.28972 | 212.9 |
[M+K]+ | 393.21906 | 189.9 |
[M+H-H2O]+ | 337.25316 | 185.6 |
[M+HCOO]- | 399.25410 | 201.1 |
[M+CH3COO]- | 413.26975 | 200.0 |
[M+Na-2H]- | 375.23057 | 190.7 |
[M]+ | 354.25535 | 187.6 |
[M]- | 354.25645 | 187.6 |