CID 187147

Glyceofuran

Structural Information

Molecular Formula
C20H18O6
SMILES
CC(C)(C1=CC2=CC3=C(C=C2O1)OC[C@@]4([C@H]3OC5=C4C=CC(=C5)O)O)O
InChI
InChI=1S/C20H18O6/c1-19(2,22)17-6-10-5-12-15(8-14(10)25-17)24-9-20(23)13-4-3-11(21)7-16(13)26-18(12)20/h3-8,18,21-23H,9H2,1-2H3/t18-,20+/m0/s1
InChIKey
FLURXOFTUKXKQN-AZUAARDMSA-N
Compound name
(1S,13S)-6-(2-hydroxypropan-2-yl)-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,5,8,14(19),15,17-heptaene-13,17-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

11
Patents

354.11035 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.117626 177.6
[M+Na]+ 377.099568 188.5
[M-H]- 353.103074 184.5
[M+NH4]+ 372.144173 194.7
[M+K]+ 393.073508 187.0
[M+H-H2O]+ 337.107610 174.5
[M+HCOO]- 399.108551 189.3
[M+CH3COO]- 413.124201 189.3
[M+Na-2H]- 375.085016 185.1
[M]+ 354.10980142 183.8
[M]- 354.11089858 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.