CID 131770016

6-beta-hydroxymedroxyprogesterone

Structural Information

Molecular Formula
C22H32O4
SMILES
CC(=O)[C@]1(CCC2[C@@]1(CCC3C2C[C@@](C4=CC(=O)CC[C@]34C)(C)O)C)O
InChI
InChI=1S/C22H32O4/c1-13(23)22(26)10-7-17-15-12-21(4,25)18-11-14(24)5-8-19(18,2)16(15)6-9-20(17,22)3/h11,15-17,25-26H,5-10,12H2,1-4H3/t15?,16?,17?,19-,20+,21-,22+/m1/s1
InChIKey
KQYLOJBPZSTTRA-DLUZLJMTSA-N
Compound name
(6R,10R,13S,17R)-17-acetyl-6,17-dihydroxy-6,10,13-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.23007 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.23735 186.4
[M+Na]+ 383.21929 193.5
[M+NH4]+ 378.26389 199.5
[M+K]+ 399.19323 182.6
[M-H]- 359.22279 186.9
[M+Na-2H]- 381.20474 189.6
[M]+ 360.22952 187.9
[M]- 360.23062 187.9
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

No patent data available for this compound.