CID 53463366

Momilactone c

Structural Information

Molecular Formula
C20H28O3
SMILES
CC1(CCC2C(=CC3C4C2(CC(CC4(C(=O)O3)C)O)C)C1)C=C
InChI
InChI=1S/C20H28O3/c1-5-18(2)7-6-14-12(9-18)8-15-16-19(14,3)10-13(21)11-20(16,4)17(22)23-15/h5,8,13-16,21H,1,6-7,9-11H2,2-4H3
InChIKey
VSXVHWPQGHHXGS-UHFFFAOYSA-N
Compound name
5-ethenyl-14-hydroxy-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-en-11-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

316.20386 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.21114 176.1
[M+Na]+ 339.19308 185.6
[M+NH4]+ 334.23768 189.2
[M+K]+ 355.16702 175.1
[M-H]- 315.19658 178.8
[M+Na-2H]- 337.17853 178.4
[M]+ 316.20331 178.6
[M]- 316.20441 178.6
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

patents stripe