PubChemLite - Ganodermadiol (C30H48O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H48O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,21-22,25-26,31-32H,8,10,12-13,15-19H2,1-7H3/b20-9+

InChIKey

AOXXVRDKZLRGTJ-AWQFTUOYSA-N

Compound name

17-[(E)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol

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]+	441.37270	213.1
[M+Na]+	463.35464	220.0
[M+NH4]+	458.39924	226.1
[M+K]+	479.32858	207.0
[M-H]-	439.35814	214.4
[M+Na-2H]-	461.34009	215.6
[M]+	440.36487	214.9
[M]-	440.36597	214.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.37270

213.1

[M+Na]+

463.35464

220.0

[M+NH4]+

458.39924

226.1

[M+K]+

479.32858

207.0

[M-H]-

439.35814

214.4

[M+Na-2H]-

461.34009

215.6

[M]+

440.36487

214.9

[M]-

440.36597

214.9

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

Ganodermadiol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe