CID 440105

11a-hydroxyprogesterone

Structural Information

Molecular Formula
C21H30O3
SMILES
CC(=O)C1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C
InChI
InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16?,17-,18+,19+,20-,21+/m0/s1
InChIKey
BFZHCUBIASXHPK-ODYOLWGQSA-N
Compound name
(8S,9S,10R,11R,13S,14S)-17-acetyl-11-hydroxy-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
3
Annotation Hits

89
References

1120
Patents

330.21948 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.22676 181.9
[M+Na]+ 353.20870 190.3
[M+NH4]+ 348.25330 193.5
[M+K]+ 369.18264 181.8
[M-H]- 329.21220 183.5
[M+Na-2H]- 351.19415 183.0
[M]+ 330.21893 183.6
[M]- 330.22003 183.6
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