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
4
Annotation Hits

29
References

142
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 169.2
[M+Na]+ 353.17232 175.0
[M-H]- 329.17582 169.6
[M+NH4]+ 348.21692 194.5
[M+K]+ 369.14626 170.9
[M+H-H2O]+ 313.18036 160.1
[M+HCOO]- 375.18130 170.1
[M+CH3COO]- 389.19695 177.4
[M+Na-2H]- 351.15777 177.1
[M]+ 330.18255 169.6
[M]- 330.18365 169.6
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.