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]+ 305.283876 181.0
[M+Na]+ 327.265818 184.8
[M-H]- 303.269324 183.3
[M+NH4]+ 322.310423 205.7
[M+K]+ 343.239758 178.4
[M+H-H2O]+ 287.273860 174.2
[M+HCOO]- 349.274801 188.1
[M+CH3COO]- 363.290451 189.0
[M+Na-2H]- 325.251266 180.8
[M]+ 304.27605142 171.8
[M]- 304.27714858 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.