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 176.0
[M+Na]+ 311.23455 179.9
[M-H]- 287.23805 179.6
[M+NH4]+ 306.27915 201.5
[M+K]+ 327.20849 174.0
[M+H-H2O]+ 271.24259 168.4
[M+HCOO]- 333.24353 185.2
[M+CH3COO]- 347.25918 184.7
[M+Na-2H]- 309.22000 177.0
[M]+ 288.24478 167.1
[M]- 288.24588 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.