PubChemLite - Ganodermatriol (C30H48O3)

Structural Information

Molecular Formula

SMILES

CC(CCC=C(CO)CO)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C

InChI

InChI=1S/C30H48O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25-26,31-33H,7-8,11-12,14-19H2,1-6H3

InChIKey

LIJZGBVDQCTWLG-UHFFFAOYSA-N

Compound name

2-[4-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)pentylidene]propane-1,3-diol

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]+	457.36763	215.5
[M+Na]+	479.34957	221.3
[M+NH4]+	474.39417	227.6
[M+K]+	495.32351	209.2
[M-H]-	455.35307	215.7
[M+Na-2H]-	477.33502	217.1
[M]+	456.35980	216.8
[M]-	456.36090	216.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.36763

215.5

[M+Na]+

479.34957

221.3

[M+NH4]+

474.39417

227.6

[M+K]+

495.32351

209.2

[M-H]-

455.35307

215.7

[M+Na-2H]-

477.33502

217.1

[M]+

456.35980

216.8

[M]-

456.36090

216.8

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

Ganodermatriol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe