PubChemLite - Ganoderic acid v1 (C30H42O7)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H42O7/c1-16(25(35)36)9-8-11-29(6,37)20-14-22(34)30(7)24-17(31)13-19-26(2,3)21(33)10-12-27(19,4)23(24)18(32)15-28(20,30)5/h9,19-21,33,37H,8,10-15H2,1-7H3,(H,35,36)/b16-9+

InChIKey

FELIGGHUKPABHF-CXUHLZMHSA-N

Compound name

(E)-6-hydroxy-6-(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-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]+	515.30028	217.2
[M+Na]+	537.28222	222.5
[M-H]-	513.28572	216.9
[M+NH4]+	532.32682	234.3
[M+K]+	553.25616	218.0
[M+H-H2O]+	497.29026	215.7
[M+HCOO]-	559.29120	217.4
[M+CH3COO]-	573.30685	244.2
[M+Na-2H]-	535.26767	215.9
[M]+	514.29245	216.4
[M]-	514.29355	216.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

515.30028

217.2

[M+Na]+

537.28222

222.5

[M-H]-

513.28572

216.9

[M+NH4]+

532.32682

234.3

[M+K]+

553.25616

218.0

[M+H-H2O]+

497.29026

215.7

[M+HCOO]-

559.29120

217.4

[M+CH3COO]-

573.30685

244.2

[M+Na-2H]-

535.26767

215.9

[M]+

514.29245

216.4

[M]-

514.29355

216.4

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

Ganoderic acid v1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe