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	230.4
[M+Na]+	567.36562	232.9
[M-H]-	543.36912	230.3
[M+NH4]+	562.41022	246.8
[M+K]+	583.33956	229.1
[M+H-H2O]+	527.37366	227.3
[M+HCOO]-	589.37460	230.1
[M+CH3COO]-	603.39025	252.7
[M+Na-2H]-	565.35107	223.6
[M]+	544.37585	230.4
[M]-	544.37695	230.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

545.38368

230.4

[M+Na]+

567.36562

232.9

[M-H]-

543.36912

230.3

[M+NH4]+

562.41022

246.8

[M+K]+

583.33956

229.1

[M+H-H2O]+

527.37366

227.3

[M+HCOO]-

589.37460

230.1

[M+CH3COO]-

603.39025

252.7

[M+Na-2H]-

565.35107

223.6

[M]+

544.37585

230.4

[M]-

544.37695

230.4

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