CID 18664186

185756-31-4

Structural Information

Molecular Formula
C20H18O8
SMILES
C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)OC(=O)C3=CC=C(C=C3)O)OC(=O)C4=CC=C(C=C4)O
InChI
InChI=1S/C20H18O8/c21-13-5-1-11(2-6-13)19(23)27-15-9-25-18-16(10-26-17(15)18)28-20(24)12-3-7-14(22)8-4-12/h1-8,15-18,21-22H,9-10H2/t15-,16+,17-,18-/m1/s1
InChIKey
COSAGRDGLGPYDP-XMTFNYHQSA-N
Compound name
[(3S,3aR,6R,6aR)-6-(4-hydroxybenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

386.10016 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10744 185.2
[M+Na]+ 409.08938 194.5
[M+NH4]+ 404.13398 190.2
[M+K]+ 425.06332 195.9
[M-H]- 385.09288 189.8
[M+Na-2H]- 407.07483 187.1
[M]+ 386.09961 187.4
[M]- 386.10071 187.4
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

patents stripe