CID 225760
[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
Structural Information
- Molecular Formula
- C23H34O6
- SMILES
- CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4C3(CCC(=O)C4)C)O)C)O
- InChI
- InChI=1S/C23H34O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h14,16-18,20,26,28H,4-12H2,1-3H3
- InChIKey
- BWCPGWRDUCWIIR-UHFFFAOYSA-N
- Compound name
- [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 407.24281 | 197.3 |
[M+Na]+ | 429.22475 | 201.0 |
[M-H]- | 405.22825 | 198.2 |
[M+NH4]+ | 424.26935 | 217.0 |
[M+K]+ | 445.19869 | 196.9 |
[M+H-H2O]+ | 389.23279 | 193.1 |
[M+HCOO]- | 451.23373 | 201.2 |
[M+CH3COO]- | 465.24938 | 221.3 |
[M+Na-2H]- | 427.21020 | 195.3 |
[M]+ | 406.23498 | 192.5 |
[M]- | 406.23608 | 192.5 |
Literature stripe
No literature data available for this compound.