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

compound 2d structure
2
Annotation Hits

0
References

11
Patents

390.20422 Da
Monoisotopic Mass

3.3
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe