CID 165562
Desacetylscillirosidin
Structural Information
- Molecular Formula
- C24H32O6
- SMILES
- C[C@]12CC[C@@H]3[C@]4(CC[C@@H](C=C4[C@@H](C[C@]3([C@]1(CC[C@@H]2C5=COC(=O)C=C5)O)O)O)O)C
- InChI
- InChI=1S/C24H32O6/c1-21-8-5-15(25)11-17(21)18(26)12-23(28)19(21)7-9-22(2)16(6-10-24(22,23)29)14-3-4-20(27)30-13-14/h3-4,11,13,15-16,18-19,25-26,28-29H,5-10,12H2,1-2H3/t15-,16+,18+,19+,21-,22+,23-,24+/m0/s1
- InChIKey
- CAOKMXJYIBQRBR-ZOZWTODISA-N
- Compound name
- 5-[(3S,6R,8S,9R,10R,13R,14R,17R)-3,6,8,14-tetrahydroxy-10,13-dimethyl-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 417.22716 | 198.8 |
[M+Na]+ | 439.20910 | 206.1 |
[M-H]- | 415.21260 | 202.7 |
[M+NH4]+ | 434.25370 | 217.7 |
[M+K]+ | 455.18304 | 201.4 |
[M+H-H2O]+ | 399.21714 | 192.2 |
[M+HCOO]- | 461.21808 | 203.1 |
[M+CH3COO]- | 475.23373 | 206.2 |
[M+Na-2H]- | 437.19455 | 201.3 |
[M]+ | 416.21933 | 194.7 |
[M]- | 416.22043 | 194.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.