PubChemLite - Desoxycortone (C21H30O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1

InChIKey

ZESRJSPZRDMNHY-YFWFAHHUSA-N

Compound name

(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-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]+	331.22676	182.8
[M+Na]+	353.20870	190.9
[M+NH4]+	348.25330	194.3
[M+K]+	369.18264	182.1
[M-H]-	329.21220	184.4
[M+Na-2H]-	351.19415	184.1
[M]+	330.21893	184.4
[M]-	330.22003	184.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

331.22676

182.8

[M+Na]+

353.20870

190.9

[M+NH4]+

348.25330

194.3

[M+K]+

369.18264

182.1

[M-H]-

329.21220

184.4

[M+Na-2H]-

351.19415

184.1

[M]+

330.21893

184.4

[M]-

330.22003

184.4

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

Desoxycortone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe