CID 101289733
Fukinolide
Structural Information
- Molecular Formula
- C22H30O6
- SMILES
- C/C=C(\C)/C(=O)O[C@H]1CC[C@@H]([C@@]2([C@H]1[C@H]([C@@]3(C2)C(=C)COC3=O)OC(=O)C)C)C
- InChI
- InChI=1S/C22H30O6/c1-7-12(2)19(24)28-16-9-8-13(3)21(6)11-22(14(4)10-26-20(22)25)18(17(16)21)27-15(5)23/h7,13,16-18H,4,8-11H2,1-3,5-6H3/b12-7+/t13-,16-,17+,18+,21+,22+/m0/s1
- InChIKey
- AVAGQVZSHJYDED-NWAIQIOLSA-N
- Compound name
- [(2R,3R,3aR,4S,7S,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] (E)-2-methylbut-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 391.21150 | 190.2 |
[M+Na]+ | 413.19344 | 195.9 |
[M-H]- | 389.19694 | 196.5 |
[M+NH4]+ | 408.23804 | 209.4 |
[M+K]+ | 429.16738 | 193.9 |
[M+H-H2O]+ | 373.20148 | 188.0 |
[M+HCOO]- | 435.20242 | 202.3 |
[M+CH3COO]- | 449.21807 | 221.0 |
[M+Na-2H]- | 411.17889 | 185.4 |
[M]+ | 390.20367 | 191.1 |
[M]- | 390.20477 | 191.1 |