CID 73018629

Momilactone b

Structural Information

Molecular Formula
C20H26O4
SMILES
CC1(CCC2C(=CC3C4C25CCC(C4(C(=O)O3)C)(OC5)O)C1)C=C
InChI
InChI=1S/C20H26O4/c1-4-17(2)6-5-13-12(10-17)9-14-15-18(3,16(21)24-14)20(22)8-7-19(13,15)11-23-20/h4,9,13-15,22H,1,5-8,10-11H2,2-3H3
InChIKey
SONPFFIKLYCKOY-UHFFFAOYSA-N
Compound name
5-ethenyl-13-hydroxy-5,12-dimethyl-10,14-dioxapentacyclo[11.2.2.11,9.02,7.012,18]octadec-7-en-11-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

29
References

5
Patents

330.1831 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.19038 178.6
[M+Na]+ 353.17232 187.0
[M+NH4]+ 348.21692 193.8
[M+K]+ 369.14626 175.1
[M-H]- 329.17582 180.1
[M+Na-2H]- 351.15777 176.9
[M]+ 330.18255 180.8
[M]- 330.18365 180.8
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.