(Q105327448)

English

(2S,2'S,3S,3'S,4S)-3,3',4,4'-Tetrahydro-2beta,2'beta-bis(3,4-dihydroxyphenyl)-4alpha,8'-bi[2H-1-benzopyran]-3beta,3'beta,5,5',7,7'-hexol

chemical compound

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instance of

type of chemical entity

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subclass of

2-(3,4-dihydroxyphenyl)-8-[(4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

1 reference

1 reference

578.142426272 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

Catechin-(4alpha-8)-ent-epicatechin

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based on heuristic

inferred from InChI

(-)-epicatechin-(4alpha->8)-(-)-epicatechin

1 reference

1 reference

1 reference

1 reference

(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol

1 reference

based on heuristic

inferred from InChI

(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

1 reference

based on heuristic

inferred from InChI

(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₂₆O₁₂

0 references

canonical SMILES

OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)C(O)C2C=4C(O)=CC(O)=C5C4OC(C6=CC=C(O)C(O)=C6)C(O)C5)C1

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isomeric SMILES

Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2

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found in taxon

Byrsonima crassifolia

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stated in

Proanthocyanidins with ( + )-epicatechin units from Byrsonima crassifolia bark

1 reference

1 reference

Identifiers

InChI

InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m0/s1

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InChIKey

XFZJEEAOWLFHDH-WQJHFXEDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XFZJEEAOWLFHDH-WQJHFXEDSA-N

1 reference

(Q105327448)

(2S,2'S,3S,3'S,4S)-3,3',4,4'-Tetrahydro-2beta,2'beta-bis(3,4-dihydroxyphenyl)-4alpha,8'-bi[2H-1-benzopyran]-3beta,3'beta,5,5',7,7'-hexol

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