PubChemLite - Ganoderic acid v (C32H48O6)

Structural Information

Molecular Formula

SMILES

CC(CC/C=C(/C)\C(=O)O)C1CC(C2(C1(CCC3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C)OC(=O)C

InChI

InChI=1S/C32H48O6/c1-18(10-9-11-19(2)28(36)37)22-16-26(38-20(3)33)32(8)27-21(12-15-31(22,32)7)30(6)14-13-25(35)29(4,5)24(30)17-23(27)34/h11,18,22-24,26,34H,9-10,12-17H2,1-8H3,(H,36,37)/b19-11-

InChIKey

KUXMNDKEYFTKBS-ODLFYWEKSA-N

Compound name

(Z)-6-(15-acetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid

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]+	529.35238	224.7
[M+Na]+	551.33432	228.0
[M-H]-	527.33782	224.9
[M+NH4]+	546.37892	241.7
[M+K]+	567.30826	223.7
[M+H-H2O]+	511.34236	221.8
[M+HCOO]-	573.34330	225.0
[M+CH3COO]-	587.35895	249.4
[M+Na-2H]-	549.31977	218.5
[M]+	528.34455	223.8
[M]-	528.34565	223.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

529.35238

224.7

[M+Na]+

551.33432

228.0

[M-H]-

527.33782

224.9

[M+NH4]+

546.37892

241.7

[M+K]+

567.30826

223.7

[M+H-H2O]+

511.34236

221.8

[M+HCOO]-

573.34330

225.0

[M+CH3COO]-

587.35895

249.4

[M+Na-2H]-

549.31977

218.5

[M]+

528.34455

223.8

[M]-

528.34565

223.8

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

Ganoderic acid v

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe