CID 16733713
Stoloniferone k
Structural Information
- Molecular Formula
- C28H46O4
- SMILES
- C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(C(=O)C=CC4)C)O)O)O)C
- InChI
- InChI=1S/C28H46O4/c1-16(2)17(3)9-10-18(4)20-11-12-21-19-14-24(31)28(32)13-7-8-23(30)27(28,6)25(19)22(29)15-26(20,21)5/h7-8,16-22,24-25,29,31-32H,9-15H2,1-6H3/t17-,18+,19-,20+,21-,22+,24+,25+,26+,27+,28-/m0/s1
- InChIKey
- LHCJUGVREBOUPD-AVSXZLHXSA-N
- Compound name
- (5R,6R,8S,9S,10R,11R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-5,6,11-trihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 447.34688 | 213.7 |
[M+Na]+ | 469.32882 | 216.0 |
[M-H]- | 445.33232 | 212.9 |
[M+NH4]+ | 464.37342 | 231.5 |
[M+K]+ | 485.30276 | 210.6 |
[M+H-H2O]+ | 429.33686 | 209.6 |
[M+HCOO]- | 491.33780 | 214.0 |
[M+CH3COO]- | 505.35345 | 232.8 |
[M+Na-2H]- | 467.31427 | 207.2 |
[M]+ | 446.33905 | 208.3 |
[M]- | 446.34015 | 208.3 |
Literature stripe
Patent stripe
No patent data available for this compound.