PubChemLite - Ganoderic acid beta (C30H44O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H44O6/c1-16(9-8-10-17(2)26(35)36)18-13-23(34)30(7)25-19(31)14-21-27(3,4)22(33)11-12-28(21,5)24(25)20(32)15-29(18,30)6/h10,16,18-19,21-22,31,33H,8-9,11-15H2,1-7H3,(H,35,36)/b17-10+

InChIKey

NJZMSAAKSXZIEC-LICLKQGHSA-N

Compound name

(E)-6-(3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-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]+	501.32106	216.9
[M+Na]+	523.30300	221.1
[M+NH4]+	518.34760	226.2
[M+K]+	539.27694	212.2
[M-H]-	499.30650	214.6
[M+Na-2H]-	521.28845	216.1
[M]+	500.31323	216.9
[M]-	500.31433	216.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

501.32106

216.9

[M+Na]+

523.30300

221.1

[M+NH4]+

518.34760

226.2

[M+K]+

539.27694

212.2

[M-H]-

499.30650

214.6

[M+Na-2H]-

521.28845

216.1

[M]+

500.31323

216.9

[M]-

500.31433

216.9

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

Ganoderic acid beta

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe