CID 172407704

7alpha-hydroxy steroid

Structural Information

Molecular Formula
C19H32O
SMILES
CC12CCCC1C3[C@@H](CC4CCCCC4(C3CC2)C)O
InChI
InChI=1S/C19H32O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h13-17,20H,3-12H2,1-2H3/t13?,14?,15?,16-,17?,18?,19?/m1/s1
InChIKey
GUCUXPJTVXMEKL-LRAOTIHZSA-N
Compound name
(7R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.24533 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.25261 172.3
[M+Na]+ 299.23455 175.7
[M-H]- 275.23805 174.7
[M+NH4]+ 294.27915 196.1
[M+K]+ 315.20849 169.8
[M+H-H2O]+ 259.24259 165.7
[M+HCOO]- 321.24353 180.1
[M+CH3COO]- 335.25918 180.7
[M+Na-2H]- 297.22000 172.1
[M]+ 276.24478 162.0
[M]- 276.24588 162.0
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.