CID 107484

Estr-5(10)-ene-3,17-dione

Structural Information

Molecular Formula
C18H24O2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3CCC(=O)C4
InChI
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h14-16H,2-10H2,1H3/t14-,15-,16+,18+/m1/s1
InChIKey
RORYLAUXKSWMQL-CBZIJGRNSA-N
Compound name
(8R,9S,13S,14S)-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

272.17764 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18492 166.7
[M+Na]+ 295.16686 176.9
[M+NH4]+ 290.21146 178.5
[M+K]+ 311.14080 168.8
[M-H]- 271.17036 169.8
[M+Na-2H]- 293.15231 168.6
[M]+ 272.17709 169.0
[M]- 272.17819 169.0
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

patents stripe