CID 129903581
(3s)-6-[(3r,8s,10s,13r,14s)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-hexane-2,3-diol
Structural Information
- Molecular Formula
- C29H50O3
- SMILES
- C[C@@]12CCC([C@]1(CC=C3[C@H]2CCC4[C@@]3(CC[C@H](C4(C)C)O)C)C)CCC[C@@H](C(C)(C)O)O
- InChI
- InChI=1S/C29H50O3/c1-25(2)22-12-11-21-20(27(22,5)16-15-23(25)30)14-18-28(6)19(13-17-29(21,28)7)9-8-10-24(31)26(3,4)32/h14,19,21-24,30-32H,8-13,15-18H2,1-7H3/t19?,21-,22?,23-,24+,27-,28-,29+/m1/s1
- InChIKey
- NAVICYWZWGPQRN-YFRCVTKSSA-N
- Compound name
- (3S)-6-[(3R,8S,10S,13R,14S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhexane-2,3-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 447.38328 | 216.1 |
[M+Na]+ | 469.36522 | 219.4 |
[M-H]- | 445.36872 | 215.4 |
[M+NH4]+ | 464.40982 | 236.2 |
[M+K]+ | 485.33916 | 213.1 |
[M+H-H2O]+ | 429.37326 | 211.9 |
[M+HCOO]- | 491.37420 | 216.4 |
[M+CH3COO]- | 505.38985 | 231.2 |
[M+Na-2H]- | 467.35067 | 214.3 |
[M]+ | 446.37545 | 211.4 |
[M]- | 446.37655 | 211.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.