CID 157010304

(3s,6s,6ar)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-ol

Structural Information

Molecular Formula
C21H24O8
SMILES
COC1=CC(=CC(=C1O)OC)[C@@H]2C3[C@H](CO2)[C@H](OC3O)C4=CC(=C(C=C4)O)OC
InChI
InChI=1S/C21H24O8/c1-25-14-6-10(4-5-13(14)22)19-12-9-28-20(17(12)21(24)29-19)11-7-15(26-2)18(23)16(8-11)27-3/h4-8,12,17,19-24H,9H2,1-3H3/t12-,17?,19+,20+,21?/m0/s1
InChIKey
DQFGZXKOVWIUGY-KGZMPSPVSA-N
Compound name
(3S,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-(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

0
References

0
Patents

404.14713 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15441 190.7
[M+Na]+ 427.13635 198.1
[M-H]- 403.13985 200.2
[M+NH4]+ 422.18095 201.9
[M+K]+ 443.11029 197.7
[M+H-H2O]+ 387.14439 185.6
[M+HCOO]- 449.14533 205.9
[M+CH3COO]- 463.16098 218.7
[M+Na-2H]- 425.12180 188.3
[M]+ 404.14658 196.6
[M]- 404.14768 196.6
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.