CID 134822640

14alpha-hydroxymethylsteroid

Structural Information

Molecular Formula
C20H34O
SMILES
CC12CCC[C@]1(C3CCC4CCCCC4(C3CC2)C)CO
InChI
InChI=1S/C20H34O/c1-18-10-5-12-20(18,14-21)17-8-7-15-6-3-4-11-19(15,2)16(17)9-13-18/h15-17,21H,3-14H2,1-2H3/t15?,16?,17?,18?,19?,20-/m1/s1
InChIKey
SXLXTCWGXBLWCM-NSDIEPNESA-N
Compound name
[(14R)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-14-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.26096 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 177.7
[M+Na]+ 313.25018 181.0
[M-H]- 289.25368 179.9
[M+NH4]+ 308.29478 202.6
[M+K]+ 329.22412 174.8
[M+H-H2O]+ 273.25822 170.6
[M+HCOO]- 335.25916 185.2
[M+CH3COO]- 349.27481 185.6
[M+Na-2H]- 311.23563 178.4
[M]+ 290.26041 167.8
[M]- 290.26151 167.8
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.