CID 15086059
61919-52-6
Structural Information
- Molecular Formula
- C20H26O3
- SMILES
- C[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C
- InChI
- InChI=1S/C20H26O3/c1-11-8-13-14-4-5-17(23)20(14,3)10-16(22)18(13)19(2)7-6-12(21)9-15(11)19/h6-7,9,11,13-14,16,18,22H,4-5,8,10H2,1-3H3/t11-,13-,14-,16-,18+,19-,20-/m0/s1
- InChIKey
- TVJLVPVXJZGLPJ-CCASCXMYSA-N
- Compound name
- (6S,8S,9S,10R,11S,13S,14S)-11-hydroxy-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 315.19548 | 174.8 |
[M+Na]+ | 337.17742 | 182.8 |
[M-H]- | 313.18092 | 179.0 |
[M+NH4]+ | 332.22202 | 198.0 |
[M+K]+ | 353.15136 | 176.8 |
[M+H-H2O]+ | 297.18546 | 169.3 |
[M+HCOO]- | 359.18640 | 185.9 |
[M+CH3COO]- | 373.20205 | 185.0 |
[M+Na-2H]- | 335.16287 | 175.4 |
[M]+ | 314.18765 | 170.8 |
[M]- | 314.18875 | 170.8 |
Literature stripe
No literature data available for this compound.