PubChemLite - Ganoderenic acid b (C30H42O7)

Structural Information

Molecular Formula

SMILES

CC(CC(=O)/C=C(/C)\C1CC(=O)C2(C1(CC(=O)C3=C2C(CC4C3(CCC(C4(C)C)O)C)O)C)C)C(=O)O

InChI

InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21-22,32,34H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-

InChIKey

QECQJYAIIIIKJB-GDNBJRDFSA-N

Compound name

(Z)-6-(3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxohept-5-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]+	515.30028	216.1
[M+Na]+	537.28222	220.7
[M-H]-	513.28572	215.7
[M+NH4]+	532.32682	233.1
[M+K]+	553.25616	216.7
[M+H-H2O]+	497.29026	214.7
[M+HCOO]-	559.29120	215.9
[M+CH3COO]-	573.30685	245.7
[M+Na-2H]-	535.26767	211.0
[M]+	514.29245	214.5
[M]-	514.29355	214.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

515.30028

216.1

[M+Na]+

537.28222

220.7

[M-H]-

513.28572

215.7

[M+NH4]+

532.32682

233.1

[M+K]+

553.25616

216.7

[M+H-H2O]+

497.29026

214.7

[M+HCOO]-

559.29120

215.9

[M+CH3COO]-

573.30685

245.7

[M+Na-2H]-

535.26767

211.0

[M]+

514.29245

214.5

[M]-

514.29355

214.5

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

Ganoderenic acid b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe