Prodelphinidin B3

CAS Registry Number®

78362-05-7
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CAS Name

Prodelphinidin B3

Molecular Formula

C30H26O14

Molecular Mass

610.52

Cite this Page

Prodelphinidin B3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78362-05-7 (retrieved 2024-04-29) (CAS RN: 78362-05-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24-,27-,28+,29+/m0/s1

InChIKey

InChIKey=RTEDIEITOBJPNI-MDPSILPBSA-N

SMILES

O[C@H]1[C@@H](C=2C(O[C@@H]1C3=CC(O)=C(O)C(O)=C3)=CC(O)=CC2O)C4=C5C(C[C@H](O)[C@H](O5)C6=CC(O)=C(O)C(O)=C6)=C(O)C=C4O

Canonical SMILES

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

Other Names for this Substance

  • [4,8′-Bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol, 3,3′,4,4′-tetrahydro-2,2′-bis(3,4,5-trihydroxyphenyl)-, (2R,2′R,3S,3′S,4S)-
  • [4,8′-Bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol, 3,3′,4,4′-tetrahydro-2,2′-bis(3,4,5-trihydroxyphenyl)-, [2R-[2α,3β,4α(2′R*,3′S*)]]-
  • (2R,2′R,3S,3′S,4S)-3,3′,4,4′-Tetrahydro-2,2′-bis(3,4,5-trihydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol
  • Prodelphinidin B3
  • Gallocatechin-(4α→8)-gallocatechin

Deleted or Replaced CAS Registry Numbers

110115-59-8

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