CID 10634

Androstenediol

Structural Information

Molecular Formula
C19H30O2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4[C@@]3(CC[C@@H](C4)O)C
InChI
InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1
InChIKey
QADHLRWLCPCEKT-LOVVWNRFSA-N
Compound name
(3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

531
References

5234
Patents

290.22458 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.23186 172.8
[M+Na]+ 313.21380 181.6
[M+NH4]+ 308.25840 185.6
[M+K]+ 329.18774 172.4
[M-H]- 289.21730 175.2
[M+Na-2H]- 311.19925 174.9
[M]+ 290.22403 174.9
[M]- 290.22513 174.9
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