PubChemLite - Eurifoloid i (C20H32O3)

Structural Information

Molecular Formula

SMILES

C[C@@]12CC[C@H]([C@]([C@H]1CCC3=C[C@]([C@H](C[C@@H]23)O)(C)C=C)(C)CO)O

InChI

InChI=1S/C20H32O3/c1-5-18(2)11-13-6-7-15-19(3,14(13)10-17(18)23)9-8-16(22)20(15,4)12-21/h5,11,14-17,21-23H,1,6-10,12H2,2-4H3/t14-,15+,16-,17+,18+,19+,20-/m1/s1

InChIKey

VEOZJESRRYTEQB-JUSAMEGKSA-N

Compound name

(1S,2R,4aS,4bR,6S,7S,10aS)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-2,6-diol

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]+	321.24242	178.6
[M+Na]+	343.22436	184.7
[M-H]-	319.22786	178.9
[M+NH4]+	338.26896	199.5
[M+K]+	359.19830	179.2
[M+H-H2O]+	303.23240	174.0
[M+HCOO]-	365.23334	186.2
[M+CH3COO]-	379.24899	205.0
[M+Na-2H]-	341.20981	180.4
[M]+	320.23459	172.8
[M]-	320.23569	172.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

321.24242

178.6

[M+Na]+

343.22436

184.7

[M-H]-

319.22786

178.9

[M+NH4]+

338.26896

199.5

[M+K]+

359.19830

179.2

[M+H-H2O]+

303.23240

174.0

[M+HCOO]-

365.23334

186.2

[M+CH3COO]-

379.24899

205.0

[M+Na-2H]-

341.20981

180.4

[M]+

320.23459

172.8

[M]-

320.23569

172.8

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

Eurifoloid i

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe