(Q104251490)

English

Woorenoside III

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic benzofuran

0 references

mass

662.257456024 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(E)-3-[(2S,3S)-3-(hydroxymethyl)-7-methoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoxy]oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₂O₁₄

0 references

canonical SMILES

O=C(OCC1OC(OCC=CC2=CC(OC)=C3OC(C4=CC(OC)=C(OC)C(OC)=C4)C(C3=C2)CO)C(O)C(O)C1O)C(=C)CCO

0 references

isomeric SMILES

C=C(CCO)C(=O)OC[C@H]1O[C@@H](OC/C=C/c2cc(OC)c3c(c2)[C@@H](CO)[C@H](c2cc(OC)c(OC)c(OC)c2)O3)[C@H](O)[C@@H](O)[C@@H]1O

0 references

found in taxon

Coptis japonica

2 references

stated in

In vitro antiinflammatory effects of neolignan woorenosides from the rhizomes of Coptis japonica

stated in

Neolignans and Phenylpropanoids from the Rhizomes of Coptis japonica var. dissecta.

Identifiers

InChI

InChI=1S/C33H42O14/c1-17(8-9-34)32(39)45-16-25-26(36)27(37)28(38)33(46-25)44-10-6-7-18-11-20-21(15-35)29(47-30(20)22(12-18)40-2)19-13-23(41-3)31(43-5)24(14-19)42-4/h6-7,11-14,21,25-29,33-38H,1,8-10,15-16H2,2-5H3/b7-6+/t21-,25-,26-,27+,28-,29+,33-/m1/s1

0 references

InChIKey

NODYDDIWONUPOD-CTOQLXJKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104251490)

Woorenoside III

Statements

Identifiers

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