PubChemLite - 5alpha-androstan-3beta-ol (C19H32O)

Structural Information

Molecular Formula

SMILES

C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC2)C)O

InChI

InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1

InChIKey

DJTOLSNIKJIDFF-LOVVWNRFSA-N

Compound name

(3S,5S,8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-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]+	277.25261	172.6
[M+Na]+	299.23455	181.2
[M+NH4]+	294.27915	186.3
[M+K]+	315.20849	171.1
[M-H]-	275.23805	175.8
[M+Na-2H]-	297.22000	174.9
[M]+	276.24478	174.9
[M]-	276.24588	174.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

277.25261

172.6

[M+Na]+

299.23455

181.2

[M+NH4]+

294.27915

186.3

[M+K]+

315.20849

171.1

[M-H]-

275.23805

175.8

[M+Na-2H]-

297.22000

174.9

[M]+

276.24478

174.9

[M]-

276.24588

174.9

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

5alpha-androstan-3beta-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe