Ganoderic acid u (C30H48O4)

Structural Information

Molecular Formula

SMILES

CC(CC/C=C(\C)/C(=O)O)C1CCC2(C1(CCC3=C2C(CC4C3(CCC(C4(C)C)O)C)O)C)C

InChI

InChI=1S/C30H48O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,22-24,31-32H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10+

InChIKey

QHLHTTNIUVMWRY-VXLYETTFSA-N

Compound name

(E)-6-(3,7-dihydroxy-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]+	473.362536	218.5
[M+Na]+	495.344478	221.6
[M-H]-	471.347984	217.7
[M+NH4]+	490.389083	237.3
[M+K]+	511.318418	215.5
[M+H-H2O]+	455.352520	214.8
[M+HCOO]-	517.353461	218.4
[M+CH3COO]-	531.369111	236.9
[M+Na-2H]-	493.329926	212.7
[M]+	472.35471142	213.7
[M]-	472.35580858	213.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

473.362536

218.5

[M+Na]+

495.344478

221.6

[M-H]-

471.347984

217.7

[M+NH4]+

490.389083

237.3

[M+K]+

511.318418

215.5

[M+H-H2O]+

455.352520

214.8

[M+HCOO]-

517.353461

218.4

[M+CH3COO]-

531.369111

236.9

[M+Na-2H]-

493.329926

212.7

[M]+

472.35471142

213.7

[M]-

472.35580858

213.7

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

Ganoderic acid u

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe