PubChemLite - Momordicine i (C30H48O4)

Structural Information

Molecular Formula

SMILES

CC(CC(C=C(C)C)O)C1CCC2(C1(CCC3(C2C(C=C4C3CCC(C4(C)C)O)O)C=O)C)C

InChI

InChI=1S/C30H48O4/c1-18(2)14-20(32)15-19(3)21-10-11-29(7)26-24(33)16-23-22(8-9-25(34)27(23,4)5)30(26,17-31)13-12-28(21,29)6/h14,16-17,19-22,24-26,32-34H,8-13,15H2,1-7H3

InChIKey

QBXNBPFTVLJTMK-UHFFFAOYSA-N

Compound name

3,7-dihydroxy-17-(4-hydroxy-6-methylhept-5-en-2-yl)-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	473.36254	216.4
[M+Na]+	495.34448	220.8
[M+NH4]+	490.38908	227.4
[M+K]+	511.31842	210.4
[M-H]-	471.34798	215.5
[M+Na-2H]-	493.32993	216.5
[M]+	472.35471	217.0
[M]-	472.35581	217.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

473.36254

216.4

[M+Na]+

495.34448

220.8

[M+NH4]+

490.38908

227.4

[M+K]+

511.31842

210.4

[M-H]-

471.34798

215.5

[M+Na-2H]-

493.32993

216.5

[M]+

472.35471

217.0

[M]-

472.35581

217.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Momordicine i

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe