CID 44263342

11b-hydroxyprogesterone

Structural Information

Molecular Formula
C20H28O4
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@@H](C[C@]4([C@H]3CC[C@@H]4C(=O)O)C)O
InChI
InChI=1S/C20H28O4/c1-19-8-7-12(21)9-11(19)3-4-13-14-5-6-15(18(23)24)20(14,2)10-16(22)17(13)19/h9,13-17,22H,3-8,10H2,1-2H3,(H,23,24)/t13-,14-,15+,16+,17+,19-,20-/m0/s1
InChIKey
XEFVQCSDIKHROY-CAPFDLLWSA-N
Compound name
(8S,9S,10R,11R,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

28
Patents

332.19876 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20604 180.3
[M+Na]+ 355.18798 185.5
[M-H]- 331.19148 182.2
[M+NH4]+ 350.23258 201.4
[M+K]+ 371.16192 180.1
[M+H-H2O]+ 315.19602 175.3
[M+HCOO]- 377.19696 187.4
[M+CH3COO]- 391.21261 208.1
[M+Na-2H]- 353.17343 179.4
[M]+ 332.19821 173.6
[M]- 332.19931 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.