CID 3514893

21-hydroxy-c21-steroid

Structural Information

Molecular Formula
C21H36O
SMILES
CC12CCCCC1CCC3C2CCC4(C3CCC4CCO)C
InChI
InChI=1S/C21H36O/c1-20-12-4-3-5-15(20)6-8-17-18-9-7-16(11-14-22)21(18,2)13-10-19(17)20/h15-19,22H,3-14H2,1-2H3
InChIKey
DBMUNIJZUYVPCQ-UHFFFAOYSA-N
Compound name
2-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

89
Patents

304.2766 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.28388 181.4
[M+Na]+ 327.26582 189.5
[M+NH4]+ 322.31042 194.7
[M+K]+ 343.23976 178.9
[M-H]- 303.26932 184.4
[M+Na-2H]- 325.25127 183.1
[M]+ 304.27605 183.6
[M]- 304.27715 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

No patent data available for this compound.