CID 134822641

14alpha-formylsteroid

Structural Information

Molecular Formula
C20H32O
SMILES
CC12CCC[C@]1(C3CCC4CCCCC4(C3CC2)C)C=O
InChI
InChI=1S/C20H32O/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/h14-17H,3-13H2,1-2H3/t15?,16?,17?,18?,19?,20-/m1/s1
InChIKey
JXDWPFZFXDZRLF-NSDIEPNESA-N
Compound name
(14R)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-14-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.24533 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 177.9
[M+Na]+ 311.23455 186.4
[M+NH4]+ 306.27915 192.7
[M+K]+ 327.20849 173.9
[M-H]- 287.23805 181.1
[M+Na-2H]- 309.22000 181.8
[M]+ 288.24478 180.4
[M]- 288.24588 180.4
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.