CID 14526924

Momordicinin

Structural Information

Molecular Formula
C30H46O2
SMILES
CC1CCC23CCC4(C5(CCC6C(C(=O)CCC6(C5C=CC4(C2C1C)OC3)C)(C)C)C)C
InChI
InChI=1S/C30H46O2/c1-19-8-14-29-17-16-28(7)27(6)13-9-21-25(3,4)23(31)11-12-26(21,5)22(27)10-15-30(28,32-18-29)24(29)20(19)2/h10,15,19-22,24H,8-9,11-14,16-18H2,1-7H3
InChIKey
PKMBOLUTQNQQBP-UHFFFAOYSA-N
Compound name
4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

438.3498 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.35708 203.5
[M+Na]+ 461.33902 209.7
[M-H]- 437.34252 209.6
[M+NH4]+ 456.38362 228.4
[M+K]+ 477.31296 203.4
[M+H-H2O]+ 421.34706 191.4
[M+HCOO]- 483.34800 204.1
[M+CH3COO]- 497.36365 210.2
[M+Na-2H]- 459.32447 202.5
[M]+ 438.34925 197.3
[M]- 438.35035 197.3
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