CID 11652383

15alpha-hydroxyandrost-4-ene-3,17-dione

Structural Information

Molecular Formula
C19H26O3
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@H](CC4=O)O)C
InChI
InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)16(22)10-15(21)17(13)19/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14+,15+,17-,18+,19-/m1/s1
InChIKey
MYKMKUGZFQKMOZ-CKDIOHLVSA-N
Compound name
(8R,9S,10R,13S,14S,15S)-15-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

302.1882 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.19548 173.8
[M+Na]+ 325.17742 183.0
[M+NH4]+ 320.22202 185.8
[M+K]+ 341.15136 174.1
[M-H]- 301.18092 175.7
[M+Na-2H]- 323.16287 175.7
[M]+ 302.18765 175.7
[M]- 302.18875 175.7
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