CID 129626755

17alpha-hydroxy-c21-steroid

Structural Information

Molecular Formula
C21H36O
SMILES
CC[C@]1(CCC2C1(CCC3C2CCC4C3(CCCC4)C)C)O
InChI
InChI=1S/C21H36O/c1-4-21(22)14-11-18-16-9-8-15-7-5-6-12-19(15,2)17(16)10-13-20(18,21)3/h15-18,22H,4-14H2,1-3H3/t15?,16?,17?,18?,19?,20?,21-/m1/s1
InChIKey
JSIVWCLRCGAVHN-ILZKQPLKSA-N
Compound name
(17R)-17-ethyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2766 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.28388 181.0
[M+Na]+ 327.26582 184.8
[M-H]- 303.26932 183.3
[M+NH4]+ 322.31042 205.7
[M+K]+ 343.23976 178.4
[M+H-H2O]+ 287.27386 174.2
[M+HCOO]- 349.27480 188.1
[M+CH3COO]- 363.29045 189.0
[M+Na-2H]- 325.25127 180.8
[M]+ 304.27605 171.8
[M]- 304.27715 171.8
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.