CID 117072652
15270-34-5
Structural Information
- Molecular Formula
- C24H30O9
- SMILES
- C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O
- InChI
- InChI=1S/C24H30O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/h3,5,8,13-20,23,25-28H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,23-,24+/m1/s1
- InChIKey
- JLYJQBHANCHTOW-OWYKRJLGSA-N
- Compound name
- (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S,16R)-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]oxy]oxane-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 463.19628 | 203.9 |
[M+Na]+ | 485.17822 | 207.2 |
[M-H]- | 461.18172 | 205.9 |
[M+NH4]+ | 480.22282 | 214.0 |
[M+K]+ | 501.15216 | 204.9 |
[M+H-H2O]+ | 445.18626 | 198.6 |
[M+HCOO]- | 507.18720 | 204.5 |
[M+CH3COO]- | 521.20285 | 229.8 |
[M+Na-2H]- | 483.16367 | 200.4 |
[M]+ | 462.18845 | 199.4 |
[M]- | 462.18955 | 199.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.