Ganoderic acid w (C34H52O7)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C34H52O7/c1-19(11-10-12-20(2)30(38)39)24-17-28(41-22(4)36)34(9)29-23(13-16-33(24,34)8)32(7)15-14-27(40-21(3)35)31(5,6)26(32)18-25(29)37/h12,19,24-28,37H,10-11,13-18H2,1-9H3,(H,38,39)/b20-12-

InChIKey

DIXZQXARJMRUPX-NDENLUEZSA-N

Compound name

(Z)-6-(3,15-diacetyloxy-7-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]+	573.378576	234.0
[M+Na]+	595.360518	235.9
[M-H]-	571.364024	233.7
[M+NH4]+	590.405123	249.0
[M+K]+	611.334458	233.1
[M+H-H2O]+	555.368560	231.7
[M+HCOO]-	617.369501	232.8
[M+CH3COO]-	631.385151	257.3
[M+Na-2H]-	593.345966	226.7
[M]+	572.37075142	234.6
[M]-	572.37184858	234.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

573.378576

234.0

[M+Na]+

595.360518

235.9

[M-H]-

571.364024

233.7

[M+NH4]+

590.405123

249.0

[M+K]+

611.334458

233.1

[M+H-H2O]+

555.368560

231.7

[M+HCOO]-

617.369501

232.8

[M+CH3COO]-

631.385151

257.3

[M+Na-2H]-

593.345966

226.7

[M]+

572.37075142

234.6

[M]-

572.37184858

234.6

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

Ganoderic acid w

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe