Norvinisterone (C20H28O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h3,12,15-18,22H,1,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1

InChIKey

VOJYZDFYEHKHAP-XGXHKTLJSA-N

Compound name

(8R,9S,10R,13S,14S,17R)-17-ethenyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

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]+	301.216196	175.0
[M+Na]+	323.198138	180.4
[M-H]-	299.201644	178.1
[M+NH4]+	318.242743	198.1
[M+K]+	339.172078	173.7
[M+H-H2O]+	283.206180	168.8
[M+HCOO]-	345.207121	184.6
[M+CH3COO]-	359.222771	184.0
[M+Na-2H]-	321.183586	175.3
[M]+	300.20837142	167.1
[M]-	300.20946858	167.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

301.216196

175.0

[M+Na]+

323.198138

180.4

[M-H]-

299.201644

178.1

[M+NH4]+

318.242743

198.1

[M+K]+

339.172078

173.7

[M+H-H2O]+

283.206180

168.8

[M+HCOO]-

345.207121

184.6

[M+CH3COO]-

359.222771

184.0

[M+Na-2H]-

321.183586

175.3

[M]+

300.20837142

167.1

[M]-

300.20946858

167.1

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

Norvinisterone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe