PubChemLite - Ganoderic acid l (C30H46O8)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H46O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-22,32,34-35,38H,8-14H2,1-7H3,(H,36,37)

InChIKey

RZBILUATLYXZLI-UHFFFAOYSA-N

Compound name

6-hydroxy-2-methyl-4-oxo-6-(3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)heptanoic 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]+	535.32658	223.5
[M+Na]+	557.30852	226.8
[M-H]-	533.31202	220.4
[M+NH4]+	552.35312	238.4
[M+K]+	573.28246	224.1
[M+H-H2O]+	517.31656	223.4
[M+HCOO]-	579.31750	219.4
[M+CH3COO]-	593.33315	245.8
[M+Na-2H]-	555.29397	221.2
[M]+	534.31875	221.9
[M]-	534.31985	221.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

535.32658

223.5

[M+Na]+

557.30852

226.8

[M-H]-

533.31202

220.4

[M+NH4]+

552.35312

238.4

[M+K]+

573.28246

224.1

[M+H-H2O]+

517.31656

223.4

[M+HCOO]-

579.31750

219.4

[M+CH3COO]-

593.33315

245.8

[M+Na-2H]-

555.29397

221.2

[M]+

534.31875

221.9

[M]-

534.31985

221.9

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

Ganoderic acid l

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe