CID 101786

18-hydroxyprogesterone

Structural Information

Molecular Formula
C21H30O3
SMILES
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)CO
InChI
InChI=1S/C21H30O3/c1-13(23)17-5-6-19-16-4-3-14-11-15(24)7-9-20(14,2)18(16)8-10-21(17,19)12-22/h11,16-19,22H,3-10,12H2,1-2H3/t16-,17-,18+,19+,20+,21+/m1/s1
InChIKey
QFNCSEWPJSDMED-OFELHODLSA-N
Compound name
(8R,9S,10R,13R,14S,17S)-17-acetyl-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

296
Patents

330.21948 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.226756 182.3
[M+Na]+ 353.208698 186.8
[M-H]- 329.212204 185.1
[M+NH4]+ 348.253303 204.0
[M+K]+ 369.182638 181.1
[M+H-H2O]+ 313.216740 176.4
[M+HCOO]- 375.217681 190.6
[M+CH3COO]- 389.233331 209.8
[M+Na-2H]- 351.194146 181.3
[M]+ 330.21893142 175.7
[M]- 330.22002858 175.7
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.