CID 77963611

(15alpha,20r)-15,20-dihydroxypregn-4-en-3-one

Structural Information

Molecular Formula
C21H32O3
SMILES
CC(C1CC(C2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)O
InChI
InChI=1S/C21H32O3/c1-12(22)17-11-18(24)19-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,12,15-19,22,24H,4-9,11H2,1-3H3
InChIKey
OVQSVMZESAVYPN-UHFFFAOYSA-N
Compound name
15-hydroxy-17-(1-hydroxyethyl)-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
1
Annotation Hits

0
References

0
Patents

332.23514 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.24242 183.3
[M+Na]+ 355.22436 188.0
[M-H]- 331.22786 185.0
[M+NH4]+ 350.26896 204.6
[M+K]+ 371.19830 182.2
[M+H-H2O]+ 315.23240 178.1
[M+HCOO]- 377.23334 189.8
[M+CH3COO]- 391.24899 191.2
[M+Na-2H]- 353.20981 181.4
[M]+ 332.23459 176.1
[M]- 332.23569 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

No patent data available for this compound.