PubChemLite - Ganoderic acid h (C32H44O9)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21-22,27,36H,9-14H2,1-8H3,(H,39,40)

InChIKey

YCXUCEXEMJPDRZ-UHFFFAOYSA-N

Compound name

6-(12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic 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]+	573.30578	221.2
[M+Na]+	595.28772	225.3
[M-H]-	571.29122	221.7
[M+NH4]+	590.33232	236.2
[M+K]+	611.26166	224.0
[M+H-H2O]+	555.29576	220.6
[M+HCOO]-	617.29670	221.2
[M+CH3COO]-	631.31235	259.4
[M+Na-2H]-	593.27317	216.0
[M]+	572.29795	224.2
[M]-	572.29905	224.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

573.30578

221.2

[M+Na]+

595.28772

225.3

[M-H]-

571.29122

221.7

[M+NH4]+

590.33232

236.2

[M+K]+

611.26166

224.0

[M+H-H2O]+

555.29576

220.6

[M+HCOO]-

617.29670

221.2

[M+CH3COO]-

631.31235

259.4

[M+Na-2H]-

593.27317

216.0

[M]+

572.29795

224.2

[M]-

572.29905

224.2

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

Ganoderic acid h

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe