CID 131751181

5a,6a-epoxy-7e-megastigmene-3a,9e-diol 3-glucoside

Structural Information

Molecular Formula
C19H32O8
SMILES
CC(/C=C/C12C(CC(CC1(O2)C)OC3C(C(C(C(O3)CO)O)O)O)(C)C)O
InChI
InChI=1S/C19H32O8/c1-10(21)5-6-19-17(2,3)7-11(8-18(19,4)27-19)25-16-15(24)14(23)13(22)12(9-20)26-16/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+
InChIKey
SMBCGBWABYMHIN-AATRIKPKSA-N
Compound name
2-[[6-[(E)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

388.20972 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.21700 187.8
[M+Na]+ 411.19894 196.0
[M+NH4]+ 406.24354 196.2
[M+K]+ 427.17288 190.9
[M-H]- 387.20244 196.3
[M+Na-2H]- 409.18439 191.6
[M]+ 388.20917 192.7
[M]- 388.21027 192.7
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.