CID 214260
27953-64-6
Structural Information
- Molecular Formula
- C23H31IO5
- SMILES
- C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CI)O)C
- InChI
- InChI=1S/C23H31IO5/c1-21-8-5-15(25)11-14(21)3-4-16-17(21)6-9-22(2)18(16)7-10-23(22,28)19(26)13-29-20(27)12-24/h11,16-18,28H,3-10,12-13H2,1-2H3/t16-,17+,18+,21+,22+,23+/m1/s1
- InChIKey
- PVHZKZWSFLQBEH-BZRUYPMDSA-N
- Compound name
- [2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 515.12892 | 196.4 |
[M+Na]+ | 537.11086 | 193.6 |
[M-H]- | 513.11436 | 191.6 |
[M+NH4]+ | 532.15546 | 211.5 |
[M+K]+ | 553.08480 | 195.1 |
[M+H-H2O]+ | 497.11890 | 187.4 |
[M+HCOO]- | 559.11984 | 198.9 |
[M+CH3COO]- | 573.13549 | 228.0 |
[M+Na-2H]- | 535.09631 | 184.8 |
[M]+ | 514.12109 | 190.3 |
[M]- | 514.12219 | 190.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.