CID 247021

15-hydroxytestosterone

Structural Information

Molecular Formula
C19H28O3
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@H](C[C@@H]4O)O)C
InChI
InChI=1S/C19H28O3/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/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14+,15+,16+,17-,18+,19-/m1/s1
InChIKey
KYGUQDTWUBBBSD-MJVYMRHDSA-N
Compound name
(8R,9S,10R,13S,14S,15S,17S)-15,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

21
Patents

304.20386 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.21114 174.3
[M+Na]+ 327.19308 183.0
[M+NH4]+ 322.23768 186.3
[M+K]+ 343.16702 174.5
[M-H]- 303.19658 176.0
[M+Na-2H]- 325.17853 175.8
[M]+ 304.20331 176.1
[M]- 304.20441 176.1
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