(Q105184979)

English

(1S,5S,6R,13R,21S)-5,13-bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4C-substituted flavan

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576.126776208 dalton

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inferred from InChIKey

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inferred from InChIKey

based on heuristic

inferred from InChI

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

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C₃₀H₂₄O₁₂

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canonical SMILES

OC=1C=C(O)C2=C(OC3(OC4=CC(O)=C5C(OC(C6=CC=C(O)C(O)=C6)C(O)C5)=C4C2C3O)C7=CC=C(O)C(O)=C7)C1

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isomeric SMILES

Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C4

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found in taxon

Pavetta owariensis

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stated in

A-type Proanthocyanidins from stem-bark of Pavetta owariensis

Identifiers

InChI

InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26+,27+,29+,30-/m1/s1

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InChIKey

NSEWTSAADLNHNH-BDHPMLJSSA-N

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17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NSEWTSAADLNHNH-BDHPMLJSSA-N

1 reference

(Q105184979)

(1S,5S,6R,13R,21S)-5,13-bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol

Statements

Identifiers

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