PubChemLite - Ganodermenonol (C30H46O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H46O2/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/h9,11,14,21-22,25,31H,8,10,12-13,15-19H2,1-7H3/b20-9+

InChIKey

QWFPQDGDUOGOJF-AWQFTUOYSA-N

Compound name

17-[(E)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[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]+	439.35708	212.4
[M+Na]+	461.33902	219.8
[M+NH4]+	456.38362	225.5
[M+K]+	477.31296	206.5
[M-H]-	437.34252	213.9
[M+Na-2H]-	459.32447	215.3
[M]+	438.34925	214.4
[M]-	438.35035	214.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.35708

212.4

[M+Na]+

461.33902

219.8

[M+NH4]+

456.38362

225.5

[M+K]+

477.31296

206.5

[M-H]-

437.34252

213.9

[M+Na-2H]-

459.32447

215.3

[M]+

438.34925

214.4

[M]-

438.35035

214.4

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

Ganodermenonol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe