PubChemLite - Ganoderal b (C30H46O3)

Structural Information

Molecular Formula

SMILES

CC(CC/C=C(\C)/C=O)C1CCC2(C1(CCC3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C

InChI

InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,18,20-21,23-24,32H,8,10-17H2,1-7H3/b19-9+

InChIKey

ALBRPHJUQRKZLQ-DJKKODMXSA-N

Compound name

(E)-6-(7-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enal

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]+	455.35198	214.3
[M+Na]+	477.33392	220.7
[M+NH4]+	472.37852	226.5
[M+K]+	493.30786	208.3
[M-H]-	453.33742	214.9
[M+Na-2H]-	475.31937	215.9
[M]+	454.34415	215.8
[M]-	454.34525	215.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.35198

214.3

[M+Na]+

477.33392

220.7

[M+NH4]+

472.37852

226.5

[M+K]+

493.30786

208.3

[M-H]-

453.33742

214.9

[M+Na-2H]-

475.31937

215.9

[M]+

454.34415

215.8

[M]-

454.34525

215.8

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

Ganoderal b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe