PubChemLite - Lynestrenol (C20H28O)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CCCC[C@H]34

InChI

InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1

InChIKey

YNVGQYHLRCDXFQ-XGXHKTLJSA-N

Compound name

(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-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]+	285.22130	173.8
[M+Na]+	307.20324	183.3
[M+NH4]+	302.24784	183.0
[M+K]+	323.17718	170.3
[M-H]-	283.20674	168.7
[M+Na-2H]-	305.18869	173.9
[M]+	284.21347	173.2
[M]-	284.21457	173.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

285.22130

173.8

[M+Na]+

307.20324

183.3

[M+NH4]+

302.24784

183.0

[M+K]+

323.17718

170.3

[M-H]-

283.20674

168.7

[M+Na-2H]-

305.18869

173.9

[M]+

284.21347

173.2

[M]-

284.21457

173.2

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

Lynestrenol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe