PubChemLite - Ganoderiol g (C31H52O5)

Structural Information

Molecular Formula

SMILES

CC(CCC(C(C)(CO)O)O)C1CCC2(C1(CCC3=C2C(CC4C3(CCC(=O)C4(C)C)C)OC)C)C

InChI

InChI=1S/C31H52O5/c1-19(9-10-25(34)31(7,35)18-32)20-11-16-30(6)26-21(12-15-29(20,30)5)28(4)14-13-24(33)27(2,3)23(28)17-22(26)36-8/h19-20,22-23,25,32,34-35H,9-18H2,1-8H3

InChIKey

YOMOWVJLKFVSNZ-UHFFFAOYSA-N

Compound name

7-methoxy-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]+	505.38875	225.9
[M+Na]+	527.37069	228.5
[M-H]-	503.37419	224.8
[M+NH4]+	522.41529	243.4
[M+K]+	543.34463	224.0
[M+H-H2O]+	487.37873	222.7
[M+HCOO]-	549.37967	224.8
[M+CH3COO]-	563.39532	242.7
[M+Na-2H]-	525.35614	223.1
[M]+	504.38092	224.1
[M]-	504.38202	224.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.38875

225.9

[M+Na]+

527.37069

228.5

[M-H]-

503.37419

224.8

[M+NH4]+

522.41529

243.4

[M+K]+

543.34463

224.0

[M+H-H2O]+

487.37873

222.7

[M+HCOO]-

549.37967

224.8

[M+CH3COO]-

563.39532

242.7

[M+Na-2H]-

525.35614

223.1

[M]+

504.38092

224.1

[M]-

504.38202

224.1

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

Ganoderiol g

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe