CID 9818021

5-androstenetriol

Structural Information

Molecular Formula
C19H30O3
SMILES
C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@@H]4O)O)C)O
InChI
InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,17-,18-,19-/m0/s1
InChIKey
GUGSXATYPSGVAY-DHKQUUGRSA-N
Compound name
(3S,8R,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16,17-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

148
Patents

306.21948 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.22676 174.8
[M+Na]+ 329.20870 182.9
[M+NH4]+ 324.25330 186.6
[M+K]+ 345.18264 174.7
[M-H]- 305.21220 176.2
[M+Na-2H]- 327.19415 175.8
[M]+ 306.21893 176.4
[M]- 306.22003 176.4
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