PubChemLite - Gestonorone (C20H28O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1

InChIKey

GTFUITFQDGVJSK-XGXHKTLJSA-N

Compound name

(8R,9S,10R,13S,14S,17R)-17-acetyl-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]+	317.21114	178.5
[M+Na]+	339.19308	186.8
[M+NH4]+	334.23768	190.2
[M+K]+	355.16702	178.2
[M-H]-	315.19658	180.1
[M+Na-2H]-	337.17853	180.0
[M]+	316.20331	180.1
[M]-	316.20441	180.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

317.21114

178.5

[M+Na]+

339.19308

186.8

[M+NH4]+

334.23768

190.2

[M+K]+

355.16702

178.2

[M-H]-

315.19658

180.1

[M+Na-2H]-

337.17853

180.0

[M]+

316.20331

180.1

[M]-

316.20441

180.1

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

Gestonorone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe