CID 129904590
(3s,5r,6r,10r,13r,17r)-17-[(1r,4s)-4-ethyl-1,5-dimethyl-hex-5-enyl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
Structural Information
- Molecular Formula
- C29H50O3
- SMILES
- CC[C@@H](CC[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C)C(=C)C
- InChI
- InChI=1S/C29H50O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h19-26,30-32H,2,7-17H2,1,3-6H3/t19-,20+,21+,22?,23-,24?,25?,26-,27-,28-,29+/m1/s1
- InChIKey
- CMOVCMPBVPGDNJ-PZIKQPMHSA-N
- Compound name
- (3S,5R,6R,10R,13R,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 447.38328 | 217.7 |
[M+Na]+ | 469.36522 | 218.0 |
[M-H]- | 445.36872 | 215.9 |
[M+NH4]+ | 464.40982 | 235.2 |
[M+K]+ | 485.33916 | 211.5 |
[M+H-H2O]+ | 429.37326 | 213.2 |
[M+HCOO]- | 491.37420 | 216.1 |
[M+CH3COO]- | 505.38985 | 232.6 |
[M+Na-2H]- | 467.35067 | 209.7 |
[M]+ | 446.37545 | 209.1 |
[M]- | 446.37655 | 209.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.