CID 73242218

1,17-dihydroxy-androstan-3-one

Structural Information

Molecular Formula
C19H30O3
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(C(CC(=O)C4)O)C
InChI
InChI=1S/C19H30O3/c1-18-8-7-15-13(14(18)5-6-16(18)21)4-3-11-9-12(20)10-17(22)19(11,15)2/h11,13-17,21-22H,3-10H2,1-2H3/t11-,13-,14-,15-,16-,17?,18-,19-/m0/s1
InChIKey
MFLXKQKZFDLMMZ-KBLLDUHYSA-N
Compound name
(5S,8S,9S,10S,13S,14S,17S)-1,17-dihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

306.21948 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.226756 176.1
[M+Na]+ 329.208698 181.0
[M-H]- 305.212204 177.8
[M+NH4]+ 324.253303 198.5
[M+K]+ 345.182638 175.1
[M+H-H2O]+ 289.216740 170.9
[M+HCOO]- 351.217681 182.8
[M+CH3COO]- 365.233331 184.4
[M+Na-2H]- 327.194146 175.4
[M]+ 306.21893142 167.4
[M]- 306.22002858 167.4
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

No patent data available for this compound.