CID 42608407
23-methyl,24-methylene-cholest-5-en-3beta-ol
Structural Information
- Molecular Formula
- C29H48O
- SMILES
- CC(C)C(=C)C(C)CC(C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
- InChI
- InChI=1S/C29H48O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h8,18-20,23-27,30H,5,9-17H2,1-4,6-7H3/t19?,20?,23-,24?,25+,26?,27?,28-,29+/m0/s1
- InChIKey
- IVHZYYGBCBDXDY-NZHHLKDSSA-N
- Compound name
- (3S,10R,13R,17R)-17-(4,6-dimethyl-5-methylideneheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 413.37778 | 211.7 |
[M+Na]+ | 435.35972 | 211.5 |
[M-H]- | 411.36322 | 212.6 |
[M+NH4]+ | 430.40432 | 229.8 |
[M+K]+ | 451.33366 | 205.2 |
[M+H-H2O]+ | 395.36776 | 205.6 |
[M+HCOO]- | 457.36870 | 213.3 |
[M+CH3COO]- | 471.38435 | 232.3 |
[M+Na-2H]- | 433.34517 | 202.5 |
[M]+ | 412.36995 | 203.2 |
[M]- | 412.37105 | 203.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.