PubChemLite - Epoxyganoderiol c (C30H48O3)

Structural Information

Molecular Formula

SMILES

CC(CCC1C(O1)(C)CO)C2CCC3(C2(CC=C4C3=CCC5C4(CCC(C5(C)C)O)C)C)C

InChI

InChI=1S/C30H48O3/c1-19(8-11-25-30(7,18-31)33-25)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23-25,31-32H,8,10-12,14-18H2,1-7H3

InChIKey

DDRCMNMGPGTECR-UHFFFAOYSA-N

Compound name

17-[4-[3-(hydroxymethyl)-3-methyloxiran-2-yl]butan-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]+	457.36763	208.1
[M+Na]+	479.34957	215.0
[M-H]-	455.35307	213.7
[M+NH4]+	474.39417	224.0
[M+K]+	495.32351	212.7
[M+H-H2O]+	439.35761	204.0
[M+HCOO]-	501.35855	210.0
[M+CH3COO]-	515.37420	214.8
[M+Na-2H]-	477.33502	207.2
[M]+	456.35980	210.8
[M]-	456.36090	210.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.36763

208.1

[M+Na]+

479.34957

215.0

[M-H]-

455.35307

213.7

[M+NH4]+

474.39417

224.0

[M+K]+

495.32351

212.7

[M+H-H2O]+

439.35761

204.0

[M+HCOO]-

501.35855

210.0

[M+CH3COO]-

515.37420

214.8

[M+Na-2H]-

477.33502

207.2

[M]+

456.35980

210.8

[M]-

456.36090

210.8

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

Epoxyganoderiol c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe