CID 157009957

Momordicine iii

Structural Information

Molecular Formula
C36H56O10
SMILES
CC(CC(C(=O)C(=C)C)OC1C(C(C(C(O1)CO)O)O)O)C2CCC3(C2(CCC4(C3C(C=C5C4CCC(C5(C)C)O)O)C=O)C)C
InChI
InChI=1S/C36H56O10/c1-18(2)27(41)24(45-32-30(44)29(43)28(42)25(16-37)46-32)14-19(3)20-10-11-35(7)31-23(39)15-22-21(8-9-26(40)33(22,4)5)36(31,17-38)13-12-34(20,35)6/h15,17,19-21,23-26,28-32,37,39-40,42-44H,1,8-14,16H2,2-7H3
InChIKey
SNJPGIYFYBGJLF-UHFFFAOYSA-N
Compound name
3,7-dihydroxy-4,4,13,14-tetramethyl-17-[6-methyl-5-oxo-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-6-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

648.3873 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.39458 242.8
[M+Na]+ 671.37652 242.7
[M+NH4]+ 666.42112 248.6
[M+K]+ 687.35046 246.4
[M-H]- 647.38002 240.4
[M+Na-2H]- 669.36197 256.4
[M]+ 648.38675 241.8
[M]- 648.38785 241.8
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.