PubChemLite - Ganoderic acid mc (C36H54O9)

Structural Information

Molecular Formula

SMILES

CC(C1CC(C2(C1(CCC3=C2C(CC4C3(CCC(C4(C)C)OC(=O)C)C)OC(=O)C)C)C)O)C(C/C=C(\C)/C(=O)O)OC(=O)C

InChI

InChI=1S/C36H54O9/c1-19(32(41)42)11-12-26(43-21(3)37)20(2)25-17-29(40)36(10)31-24(13-16-35(25,36)9)34(8)15-14-30(45-23(5)39)33(6,7)28(34)18-27(31)44-22(4)38/h11,20,25-30,40H,12-18H2,1-10H3,(H,41,42)/b19-11+

InChIKey

GHQBLEWBYHWXAC-YBFXNURJSA-N

Compound name

(E)-5-acetyloxy-6-(3,7-diacetyloxy-15-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-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]+	631.38408	239.0
[M+Na]+	653.36602	239.1
[M+NH4]+	648.41062	245.0
[M+K]+	669.33996	233.7
[M-H]-	629.36952	234.2
[M+Na-2H]-	651.35147	236.1
[M]+	630.37625	237.4
[M]-	630.37735	237.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

631.38408

239.0

[M+Na]+

653.36602

239.1

[M+NH4]+

648.41062

245.0

[M+K]+

669.33996

233.7

[M-H]-

629.36952

234.2

[M+Na-2H]-

651.35147

236.1

[M]+

630.37625

237.4

[M]-

630.37735

237.4

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

Ganoderic acid mc

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe