PubChemLite - Ganoderenic acid d (C30H40O7)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H40O7/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/h10,16,18-19,21,32H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-

InChIKey

JGWQYLZHPPFHEH-GDNBJRDFSA-N

Compound name

(Z)-6-(7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[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]+	513.28468	212.9
[M+Na]+	535.26662	218.1
[M-H]-	511.27012	213.9
[M+NH4]+	530.31122	230.5
[M+K]+	551.24056	214.1
[M+H-H2O]+	495.27466	211.1
[M+HCOO]-	557.27560	214.4
[M+CH3COO]-	571.29125	247.0
[M+Na-2H]-	533.25207	208.3
[M]+	512.27685	212.2
[M]-	512.27795	212.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.28468

212.9

[M+Na]+

535.26662

218.1

[M-H]-

511.27012

213.9

[M+NH4]+

530.31122

230.5

[M+K]+

551.24056

214.1

[M+H-H2O]+

495.27466

211.1

[M+HCOO]-

557.27560

214.4

[M+CH3COO]-

571.29125

247.0

[M+Na-2H]-

533.25207

208.3

[M]+

512.27685

212.2

[M]-

512.27795

212.2

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

Ganoderenic acid d

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe