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 185.2
[M+Na]+ 411.19894 191.9
[M-H]- 387.20244 187.8
[M+NH4]+ 406.24354 193.8
[M+K]+ 427.17288 192.4
[M+H-H2O]+ 371.20698 183.3
[M+HCOO]- 433.20792 188.9
[M+CH3COO]- 447.22357 214.4
[M+Na-2H]- 409.18439 187.4
[M]+ 388.20917 189.7
[M]- 388.21027 189.7
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.