CID 46863903

(8s,9s,10r,14s)-13-ethyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

Structural Information

Molecular Formula
C20H28O
SMILES
CCC12CC(=C)[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CCCC[C@H]34
InChI
InChI=1S/C20H28O/c1-3-20-12-13(2)19-15-7-5-4-6-14(15)8-9-16(19)17(20)10-11-18(20)21/h6,15-17,19H,2-5,7-12H2,1H3/t15-,16-,17-,19+,20?/m0/s1
InChIKey
KVNYZZFGXXHVMG-XFAGIWRCSA-N
Compound name
(8S,9S,10R,14S)-13-ethyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.21402 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.221296 171.3
[M+Na]+ 307.203238 176.0
[M-H]- 283.206744 175.4
[M+NH4]+ 302.247843 193.8
[M+K]+ 323.177178 169.4
[M+H-H2O]+ 267.211280 164.6
[M+HCOO]- 329.212221 182.3
[M+CH3COO]- 343.227871 180.7
[M+Na-2H]- 305.188686 170.6
[M]+ 284.21347142 163.2
[M]- 284.21456858 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.