CID 10379264

21800-83-9

Structural Information

Molecular Formula
C19H26O2
SMILES
CC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34
InChI
InChI=1S/C19H26O2/c1-2-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21/h11,14-17H,2-10H2,1H3/t14-,15+,16+,17-,19-/m0/s1
InChIKey
SBLHOJQRZNGHLQ-ATIFRJIPSA-N
Compound name
(8R,9S,10R,13S,14S)-13-ethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

117
Patents

286.19327 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.20055 171.1
[M+Na]+ 309.18249 181.1
[M+NH4]+ 304.22709 182.7
[M+K]+ 325.15643 172.7
[M-H]- 285.18599 174.1
[M+Na-2H]- 307.16794 172.7
[M]+ 286.19272 173.4
[M]- 286.19382 173.4
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