CID 131751868

Momordioside f1

Structural Information

Molecular Formula
C37H60O8
SMILES
CC(C/C=C/C(C)(C)OC)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)OC4)C)C
InChI
InChI=1S/C37H60O8/c1-22(10-9-15-32(2,3)42-8)23-13-16-35(7)25-14-17-37-26(36(25,21-43-37)19-18-34(23,35)6)11-12-27(33(37,4)5)45-31-30(41)29(40)28(39)24(20-38)44-31/h9,14-15,17,22-31,38-41H,10-13,16,18-21H2,1-8H3/b15-9+
InChIKey
MQGABSJZVJOSCX-OQLLNIDSSA-N
Compound name
2-(hydroxymethyl)-6-[[8-[(E)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

632.42883 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.43611 237.6
[M+Na]+ 655.41805 238.8
[M+NH4]+ 650.46265 247.5
[M+K]+ 671.39199 231.8
[M-H]- 631.42155 239.1
[M+Na-2H]- 653.40350 237.0
[M]+ 632.42828 238.5
[M]- 632.42938 238.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.