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]+ 289.252606 176.0
[M+Na]+ 311.234548 179.9
[M-H]- 287.238054 179.6
[M+NH4]+ 306.279153 201.5
[M+K]+ 327.208488 174.0
[M+H-H2O]+ 271.242590 168.4
[M+HCOO]- 333.243531 185.2
[M+CH3COO]- 347.259181 184.7
[M+Na-2H]- 309.219996 177.0
[M]+ 288.24478142 167.1
[M]- 288.24587858 167.1
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.