Procyanidin B6

CAS Registry Number®

12798-58-2
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CAS Name

Procyanidin B6

Molecular Formula

C30H26O12

Molecular Mass

578.52

Cite this Page

Procyanidin B6.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=12798-58-2 (retrieved 2024-05-05) (CAS RN: 12798-58-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28-,29+,30+/m0/s1

InChIKey

InChIKey=GMISZFQPFDAPGI-ZBRHZRBFSA-N

SMILES

O[C@H]1[C@@H](C=2C(O[C@@H]1C3=CC(O)=C(O)C=C3)=CC(O)=CC2O)C=4C(O)=C5C(=CC4O)O[C@@H]([C@@H](O)C5)C6=CC(O)=C(O)C=C6

Canonical SMILES

OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)C(O)C2C4=C(O)C=C5OC(C6=CC=C(O)C(O)=C6)C(O)CC5=C4O)C1

Other Names for this Substance

  • [4,6′-Bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol, 2,2′-bis(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-, (2R,2′R,3S,3′S,4R)-
  • [4,6′-Bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol, 2,2′-bis(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-, [2R-[2α,3β,4α(2′R*,3′S*)]]-
  • (2R,2′R,3S,3′S,4R)-2,2′-Bis(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro[4,6′-bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol
  • Procyanidin B6
  • Procyanidol B6

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Deleted or Replaced CAS Registry Numbers

55127-83-8

CAS INSIGHTSTM
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