PubChemLite - Ent-kaurenol (C20H32O)

Structural Information

Molecular Formula

SMILES

C[C@@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4)C)CO

InChI

InChI=1S/C20H32O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h15-17,21H,1,4-13H2,2-3H3/t15-,16-,17+,18-,19-,20-/m1/s1

InChIKey

TUJQVRFWMWRMIO-DAUOMPHXSA-N

Compound name

[(1S,4S,5S,9S,10R,13R)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methanol

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]+	289.25261	175.7
[M+Na]+	311.23455	184.0
[M+NH4]+	306.27915	190.2
[M+K]+	327.20849	172.0
[M-H]-	287.23805	178.0
[M+Na-2H]-	309.22000	178.5
[M]+	288.24478	177.9
[M]-	288.24588	177.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

289.25261

175.7

[M+Na]+

311.23455

184.0

[M+NH4]+

306.27915

190.2

[M+K]+

327.20849

172.0

[M-H]-

287.23805

178.0

[M+Na-2H]-

309.22000

178.5

[M]+

288.24478

177.9

[M]-

288.24588

177.9

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

Ent-kaurenol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe