CID 101969
1104-99-0
Structural Information
- Molecular Formula
- C25H36O4
- SMILES
- CC1=C2C=C(CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C1)CC[C@@]4(C(=O)C)OC(=O)C)C)C)OC
- InChI
- InChI=1S/C25H36O4/c1-15-13-19-20(23(4)10-7-18(28-6)14-22(15)23)8-11-24(5)21(19)9-12-25(24,16(2)26)29-17(3)27/h14,19-21H,7-13H2,1-6H3/t19-,20+,21+,23-,24+,25+/m1/s1
- InChIKey
- VFQNBCVPIGXTFD-HYRPPVSQSA-N
- Compound name
- [(8R,9S,10R,13S,14S,17R)-17-acetyl-3-methoxy-6,10,13-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 401.26863 | 198.4 |
[M+Na]+ | 423.25057 | 204.0 |
[M-H]- | 399.25407 | 202.7 |
[M+NH4]+ | 418.29517 | 220.1 |
[M+K]+ | 439.22451 | 199.8 |
[M+H-H2O]+ | 383.25861 | 192.4 |
[M+HCOO]- | 445.25955 | 207.2 |
[M+CH3COO]- | 459.27520 | 226.7 |
[M+Na-2H]- | 421.23602 | 196.8 |
[M]+ | 400.26080 | 198.0 |
[M]- | 400.26190 | 198.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.