CID 15765682

53067-82-6

Structural Information

Molecular Formula
C19H26O3
SMILES
CC[C@]12C[C@H]([C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34)O
InChI
InChI=1S/C19H26O3/c1-2-19-10-16(21)18-13-6-4-12(20)9-11(13)3-5-14(18)15(19)7-8-17(19)22/h9,13-16,18,21H,2-8,10H2,1H3/t13-,14-,15-,16+,18+,19-/m0/s1
InChIKey
JEMKJBGEAVUIOC-ZRTWPRGNSA-N
Compound name
(8S,9S,10R,11R,13S,14S)-13-ethyl-11-hydroxy-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

0
References

13
Patents

302.1882 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.19548 173.4
[M+Na]+ 325.17742 182.6
[M+NH4]+ 320.22202 184.0
[M+K]+ 341.15136 175.4
[M-H]- 301.18092 175.4
[M+Na-2H]- 323.16287 173.9
[M]+ 302.18765 175.2
[M]- 302.18875 175.2
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

patents stripe