CID 49767690

(3s,3as,4r,6ar)-3,6-bis(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-ol

Structural Information

Molecular Formula
C20H22O7
SMILES
COC1=C(C=CC(=C1)[C@@H]2[C@@H]3[C@H](CO2)C(O[C@H]3O)C4=CC(=C(C=C4)O)OC)O
InChI
InChI=1S/C20H22O7/c1-24-15-7-10(3-5-13(15)21)18-12-9-26-19(17(12)20(23)27-18)11-4-6-14(22)16(8-11)25-2/h3-8,12,17-23H,9H2,1-2H3/t12-,17-,18?,19+,20+/m0/s1
InChIKey
REZVXIYYURPOSL-BUODAESFSA-N
Compound name
(3S,3aS,4R,6aR)-3,6-bis(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.13657 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14385 183.8
[M+Na]+ 397.12579 191.2
[M-H]- 373.12929 193.1
[M+NH4]+ 392.17039 196.1
[M+K]+ 413.09973 190.0
[M+H-H2O]+ 357.13383 178.7
[M+HCOO]- 419.13477 199.2
[M+CH3COO]- 433.15042 212.0
[M+Na-2H]- 395.11124 182.1
[M]+ 374.13602 187.5
[M]- 374.13712 187.5
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.