PubChemLite - (+)-ganoderal a (C30H44O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H44O2/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/h9,11,14,19,21-22,25H,8,10,12-13,15-18H2,1-7H3/b20-9+

InChIKey

RHNFCIPJKSUUES-AWQFTUOYSA-N

Compound name

(E)-2-methyl-6-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)hept-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]+	437.34142	211.6
[M+Na]+	459.32336	219.6
[M+NH4]+	454.36796	224.8
[M+K]+	475.29730	205.9
[M-H]-	435.32686	213.4
[M+Na-2H]-	457.30881	215.0
[M]+	436.33359	213.8
[M]-	436.33469	213.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.34142

211.6

[M+Na]+

459.32336

219.6

[M+NH4]+

454.36796

224.8

[M+K]+

475.29730

205.9

[M-H]-

435.32686

213.4

[M+Na-2H]-

457.30881

215.0

[M]+

436.33359

213.8

[M]-

436.33469

213.8

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

(+)-ganoderal a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe