PubChemLite - Ganoderic acid mf (C32H48O5)

Structural Information

Molecular Formula

SMILES

CC(CC/C=C(\C)/C(=O)O)C1CC(C2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C)O

InChI

InChI=1S/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-26(34)32(8)23-12-13-25-29(4,5)27(37-21(3)33)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+

InChIKey

NXZJPJLQVAKBTH-RGVLZGJSSA-N

Compound name

(E)-6-(3-acetyloxy-15-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[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]+	513.35744	225.2
[M+Na]+	535.33938	228.5
[M-H]-	511.34288	225.7
[M+NH4]+	530.38398	242.8
[M+K]+	551.31332	223.7
[M+H-H2O]+	495.34742	221.3
[M+HCOO]-	557.34836	226.7
[M+CH3COO]-	571.36401	245.9
[M+Na-2H]-	533.32483	219.3
[M]+	512.34961	224.3
[M]-	512.35071	224.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.35744

225.2

[M+Na]+

535.33938

228.5

[M-H]-

511.34288

225.7

[M+NH4]+

530.38398

242.8

[M+K]+

551.31332

223.7

[M+H-H2O]+

495.34742

221.3

[M+HCOO]-

557.34836

226.7

[M+CH3COO]-

571.36401

245.9

[M+Na-2H]-

533.32483

219.3

[M]+

512.34961

224.3

[M]-

512.35071

224.3

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

Ganoderic acid mf

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe