(Q105288358)

English

(4S)-2beta,2'beta-Bis(3,4-dihydroxyphenyl)-3'beta-(galloyloxy)-3,3',4,4'-tetrahydro-4,8'-bi[2H-1-benzopyran]-3beta,5,5',7,7'-pentol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

730.15338488 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₃₀O₁₆

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canonical SMILES

O=C(OC1CC2=C(O)C=C(O)C(=C2OC1C3=CC=C(O)C(O)=C3)C4C=5C(O)=CC(O)=CC5OC(C6=CC=C(O)C(O)=C6)C4O)C7=CC(O)=C(O)C(O)=C7

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isomeric SMILES

O=C(O[C@H]1Cc2c(O)cc(O)c([C@@H]3c4c(O)cc(O)cc4O[C@@H](c4ccc(O)c(O)c4)[C@H]3O)c2O[C@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1

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found in taxon

Byrsonima crassifolia

1 reference

stated in

Proanthocyanidins with ( )-epicatechin units from Byrsonima crassifolia bark

Identifiers

InChI

InChI=1S/C37H30O16/c38-16-9-23(44)29-27(10-16)51-35(14-2-4-19(40)22(43)6-14)33(49)31(29)30-24(45)12-20(41)17-11-28(52-37(50)15-7-25(46)32(48)26(47)8-15)34(53-36(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,28,31,33-35,38-49H,11H2/t28-,31-,33-,34-,35-/m0/s1

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InChIKey

VLFKNLZNDSEVBZ-YZOSZTTDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VLFKNLZNDSEVBZ-YZOSZTTDSA-N

1 reference

(Q105288358)

(4S)-2beta,2'beta-Bis(3,4-dihydroxyphenyl)-3'beta-(galloyloxy)-3,3',4,4'-tetrahydro-4,8'-bi[2H-1-benzopyran]-3beta,5,5',7,7'-pentol

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