CID 200385
1906-01-0
Structural Information
- Molecular Formula
- C21H31ClO
- SMILES
- CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)Cl)C)C
- InChI
- InChI=1S/C21H31ClO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
- InChIKey
- OIDXWRLKJLJKRZ-QGVNFLHTSA-N
- Compound name
- 1-[(3S,8S,9S,10R,13S,14S,17S)-3-chloro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 335.21361 | 185.0 |
[M+Na]+ | 357.19555 | 190.6 |
[M-H]- | 333.19905 | 188.9 |
[M+NH4]+ | 352.24015 | 208.2 |
[M+K]+ | 373.16949 | 183.2 |
[M+H-H2O]+ | 317.20359 | 179.0 |
[M+HCOO]- | 379.20453 | 189.8 |
[M+CH3COO]- | 393.22018 | 193.6 |
[M+Na-2H]- | 355.18100 | 183.0 |
[M]+ | 334.20578 | 179.7 |
[M]- | 334.20688 | 179.7 |
Literature stripe
No literature data available for this compound.