PubChemLite - Ginsenoyne l (C32H46O2)

Structural Information

Molecular Formula

SMILES

CCCCCCCC1C(O1)CC#CC#CC2=CCC3CCC(=C)C4CC(C4CCC3(O2)C)(C)C

InChI

InChI=1S/C32H46O2/c1-6-7-8-9-12-15-29-30(33-29)16-13-10-11-14-26-20-19-25-18-17-24(2)27-23-31(3,4)28(27)21-22-32(25,5)34-26/h20,25,27-30H,2,6-9,12,15-19,21-23H2,1,3-5H3

InChIKey

YYGGQNGAVIATMP-UHFFFAOYSA-N

Compound name

14-[5-(3-heptyloxiran-2-yl)penta-1,3-diynyl]-1,5,5-trimethyl-8-methylidene-15-oxatricyclo[9.4.0.04,7]pentadec-13-ene

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]+	463.35708	180.0
[M+Na]+	485.33902	185.9
[M-H]-	461.34252	182.2
[M+NH4]+	480.38362	182.5
[M+K]+	501.31296	184.5
[M+H-H2O]+	445.34706	178.1
[M+HCOO]-	507.34800	183.4
[M+CH3COO]-	521.36365	184.2
[M+Na-2H]-	483.32447	185.8
[M]+	462.34925	182.9
[M]-	462.35035	182.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.35708

180.0

[M+Na]+

485.33902

185.9

[M-H]-

461.34252

182.2

[M+NH4]+

480.38362

182.5

[M+K]+

501.31296

184.5

[M+H-H2O]+

445.34706

178.1

[M+HCOO]-

507.34800

183.4

[M+CH3COO]-

521.36365

184.2

[M+Na-2H]-

483.32447

185.8

[M]+

462.34925

182.9

[M]-

462.35035

182.9

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

Ginsenoyne l

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe