PubChemLite - Ganoderic acid mi (C33H52O6)

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)OC)C)C)O

InChI

InChI=1S/C33H52O6/c1-19(11-10-12-20(2)29(36)37)23-17-26(35)33(8)28-22(13-16-32(23,33)7)31(6)15-14-27(39-21(3)34)30(4,5)25(31)18-24(28)38-9/h12,19,23-27,35H,10-11,13-18H2,1-9H3,(H,36,37)/b20-12-

InChIKey

DOGNEMJACWRRLK-NDENLUEZSA-N

Compound name

(Z)-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]+	545.38368	229.5
[M+Na]+	567.36562	232.8
[M+NH4]+	562.41022	238.8
[M+K]+	583.33956	223.7
[M-H]-	543.36912	227.5
[M+Na-2H]-	565.35107	228.5
[M]+	544.37585	229.5
[M]-	544.37695	229.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

545.38368

229.5

[M+Na]+

567.36562

232.8

[M+NH4]+

562.41022

238.8

[M+K]+

583.33956

223.7

[M-H]-

543.36912

227.5

[M+Na-2H]-

565.35107

228.5

[M]+

544.37585

229.5

[M]-

544.37695

229.5

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

Ganoderic acid mi

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe