CID 86575637

(2s,3s,4s,5r,6r)-6-[4-[(3s,3ar,6s,6ar)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxy-phenoxy]tetrahydropyran-2,3,4,5-tetrol

Structural Information

Molecular Formula
C27H34O13
SMILES
COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)O)O)O)O)OC
InChI
InChI=1S/C27H34O13/c1-33-15-5-11(6-16(34-2)19(15)28)23-13-9-38-24(14(13)10-37-23)12-7-17(35-3)25(18(8-12)36-4)39-27-22(31)20(29)21(30)26(32)40-27/h5-8,13-14,20-24,26-32H,9-10H2,1-4H3/t13-,14-,20-,21-,22+,23+,24+,26-,27+/m0/s1
InChIKey
FUSFEMBUDDWLHX-SIAFGCRTSA-N
Compound name
(2S,3S,4S,5R,6R)-6-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]oxane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

566.19995 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.20723 225.4
[M+Na]+ 589.18917 228.3
[M-H]- 565.19267 235.5
[M+NH4]+ 584.23377 226.6
[M+K]+ 605.16311 232.2
[M+H-H2O]+ 549.19721 219.8
[M+HCOO]- 611.19815 231.5
[M+CH3COO]- 625.21380 249.9
[M+Na-2H]- 587.17462 254.5
[M]+ 566.19940 232.7
[M]- 566.20050 232.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.