CID 6313698

Annuolide g

Structural Information

Molecular Formula
C20H26O5
SMILES
C/C=C(\C)/C(=O)OC1CC(C2CC=C(C2C3C1C(=C)C(=O)O3)C)(C)O
InChI
InChI=1S/C20H26O5/c1-6-10(2)18(21)24-14-9-20(5,23)13-8-7-11(3)15(13)17-16(14)12(4)19(22)25-17/h6-7,13-17,23H,4,8-9H2,1-3,5H3/b10-6+
InChIKey
CSBHDWDGNXOEPU-UXBLZVDNSA-N
Compound name
(6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.178 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.18528 179.7
[M+Na]+ 369.16722 184.8
[M+NH4]+ 364.21182 185.7
[M+K]+ 385.14116 184.4
[M-H]- 345.17072 179.2
[M+Na-2H]- 367.15267 177.5
[M]+ 346.17745 180.0
[M]- 346.17855 180.0
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

No patent data available for this compound.