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 192.4
[M+Na]+ 427.13635 203.0
[M+NH4]+ 422.18095 197.6
[M+K]+ 443.11029 203.7
[M-H]- 403.13985 197.6
[M+Na-2H]- 425.12180 193.2
[M]+ 404.14658 195.1
[M]- 404.14768 195.1
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.