PubChemLite - Ganoderic acid mg (C35H54O8)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C35H54O8/c1-19(31(39)40)11-12-25(42-21(3)36)20(2)24-17-28(38)35(9)30-23(13-16-34(24,35)8)33(7)15-14-29(43-22(4)37)32(5,6)27(33)18-26(30)41-10/h11,20,24-29,38H,12-18H2,1-10H3,(H,39,40)/b19-11+

InChIKey

SSISLAMFCZQHEH-YBFXNURJSA-N

Compound name

(E)-5-acetyloxy-6-(3-acetyloxy-15-hydroxy-7-methoxy-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]+	603.38918	238.6
[M+Na]+	625.37112	239.5
[M-H]-	601.37462	237.9
[M+NH4]+	620.41572	252.2
[M+K]+	641.34506	238.3
[M+H-H2O]+	585.37916	237.0
[M+HCOO]-	647.38010	236.2
[M+CH3COO]-	661.39575	263.1
[M+Na-2H]-	623.35657	230.7
[M]+	602.38135	240.6
[M]-	602.38245	240.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

603.38918

238.6

[M+Na]+

625.37112

239.5

[M-H]-

601.37462

237.9

[M+NH4]+

620.41572

252.2

[M+K]+

641.34506

238.3

[M+H-H2O]+

585.37916

237.0

[M+HCOO]-

647.38010

236.2

[M+CH3COO]-

661.39575

263.1

[M+Na-2H]-

623.35657

230.7

[M]+

602.38135

240.6

[M]-

602.38245

240.6

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

Ganoderic acid mg

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe