CID 102515047
80735-22-4
Structural Information
- Molecular Formula
- C31H52O
- SMILES
- CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H]([C@H]4C)O)C)C)C)C(=C)C
- InChI
- InChI=1S/C31H52O/c1-9-23(20(2)3)11-10-21(4)24-14-18-31(8)27-13-12-25-22(5)28(32)16-17-29(25,6)26(27)15-19-30(24,31)7/h21-25,28,32H,2,9-19H2,1,3-8H3/t21-,22+,23+,24-,25+,28+,29+,30-,31+/m1/s1
- InChIKey
- UULZCTIPCNJXAT-HRAIJHJPSA-N
- Compound name
- (3S,4S,5S,10S,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 441.40910 | 217.6 |
[M+Na]+ | 463.39104 | 219.0 |
[M-H]- | 439.39454 | 218.7 |
[M+NH4]+ | 458.43564 | 236.9 |
[M+K]+ | 479.36498 | 211.9 |
[M+H-H2O]+ | 423.39908 | 211.5 |
[M+HCOO]- | 485.40002 | 219.5 |
[M+CH3COO]- | 499.41567 | 237.9 |
[M+Na-2H]- | 461.37649 | 209.3 |
[M]+ | 440.40127 | 211.3 |
[M]- | 440.40237 | 211.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.