CID 14702651

Leontogenin

Structural Information

Molecular Formula
C27H42O5
SMILES
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4C(C6(C5(CCC(C6)O)C)O)C=O)C)C)OC1
InChI
InChI=1S/C27H42O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)11-19-22-18(7-8-24(19,23)3)25(4)9-6-17(29)12-26(25,30)20(22)13-28/h13,15-23,29-30H,5-12,14H2,1-4H3
InChIKey
GKGKOBNJESCNOE-UHFFFAOYSA-N
Compound name
16,18-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.7.0.02,9.04,8.013,18]nonadecane-6,2'-oxane]-19-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.30322 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.31050 207.0
[M+Na]+ 469.29244 211.3
[M+NH4]+ 464.33704 220.1
[M+K]+ 485.26638 204.8
[M-H]- 445.29594 210.4
[M+Na-2H]- 467.27789 204.7
[M]+ 446.30267 208.9
[M]- 446.30377 208.9
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.