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Substance Name: Dehydrodicatechin A
RN: 36048-23-4
InChIKey: XNGZKGIFXTWBFN-FVKXOKHWSA-N

Molecular Formula

  • C30-H24-O12

Molecular Weight

  • 576.508
 
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Names and Synonyms

Results Name

  • Dehydrodicatechin A

Synonym

  • (-)-Dehydrodicatechin A

Systematic Name

  • 9H-7,14b-Methano-1H-pyrano(2'',3'':4',5')benzofuro(2',3':4,5)oxocino(3,2-b)(1)benzopyran-6(7H)-one, 3-(3,4-dihydroxyphenyl)-2,3,8,8a,14a-tetrahydro- 2,7,10,12,17-pentahydroxy-, (2S-(2alpha,3beta,7alpha,8aalpha,14abeta,14bbeta))-

Registry Numbers

CAS Registry Number

  • 36048-23-4

Other Registry Number

  • 31551-50-5

System Generated Number

  • 0036048234

Structure Descriptors

InChI

1S/C30H24O12/c31-12-4-17(33)13-7-23-28(39-21(13)5-12)29-10-30(38,42-23)24(37)8-15(29)25-22(41-29)9-18(34)14-6-20(36)26(40-27(14)25)11-1-2-16(32)19(35)3-11/h1-5,8-9,20,23,26,28,31-36,38H,6-7,10H2/t20-,23-,26+,28-,29?,30-/m0/s1

InChIKey

XNGZKGIFXTWBFN-FVKXOKHWSA-N

Smiles

O1[C@@]2(C(C=C3[C@@]([C@@H]4[C@@H]1Cc1c(O4)cc(cc1O)O)(Oc1cc(c4C[C@@H]([C@@H](c5ccc(c(c5)O)O)Oc4c31)O)O)C2)=O)O