PubChemLite - Ganoderiol c (C32H54O5)

Structural Information

Molecular Formula

SMILES

CCOC1CC2C(C(=O)CCC2(C3=C1C4(CCC(C4(CC3)C)C(C)CCC(C(C)(CO)O)O)C)C)(C)C

InChI

InChI=1S/C32H54O5/c1-9-37-23-18-24-28(3,4)25(34)14-15-29(24,5)22-13-16-30(6)21(12-17-31(30,7)27(22)23)20(2)10-11-26(35)32(8,36)19-33/h20-21,23-24,26,33,35-36H,9-19H2,1-8H3

InChIKey

NBPAZLNDCXUMSM-UHFFFAOYSA-N

Compound name

7-ethoxy-4,4,10,13,14-pentamethyl-17-(5,6,7-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

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]+	519.40438	229.9
[M+Na]+	541.38632	232.1
[M-H]-	517.38982	228.6
[M+NH4]+	536.43092	246.8
[M+K]+	557.36026	227.4
[M+H-H2O]+	501.39436	226.6
[M+HCOO]-	563.39530	228.4
[M+CH3COO]-	577.41095	245.5
[M+Na-2H]-	539.37177	226.6
[M]+	518.39655	228.4
[M]-	518.39765	228.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

519.40438

229.9

[M+Na]+

541.38632

232.1

[M-H]-

517.38982

228.6

[M+NH4]+

536.43092

246.8

[M+K]+

557.36026

227.4

[M+H-H2O]+

501.39436

226.6

[M+HCOO]-

563.39530

228.4

[M+CH3COO]-

577.41095

245.5

[M+Na-2H]-

539.37177

226.6

[M]+

518.39655

228.4

[M]-

518.39765

228.4

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

Ganoderiol c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe