Procyanidin B1

CAS Registry Number®

20315-25-7
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CAS Name

Procyanidin B1

Molecular Formula

C30H26O12

Molecular Mass

578.52

Cite this Page

Procyanidin B1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=20315-25-7 (retrieved 2024-04-25) (CAS RN: 20315-25-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    204-205 °C (decomp)

Source(s)

Other Names and 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

InChIKey

InChIKey=XFZJEEAOWLFHDH-UKWJTHFESA-N

SMILES

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

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

Other Names for this Substance

  • [4,8′-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,3R,3′S,4R)-
  • [4,8′′-Biflavan]-3,3′,3′′,3′′′,4′,4′′′,5,5′′,7,7′′-decol, stereoisomer
  • [4,8′-Bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol, 2,2′-bis(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-, [2R-[2α,3α,4β(2′R*,3′S*)]]-
  • (2R,2′R,3R,3′S,4R)-2,2′-Bis(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro[4,8′-bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol
  • Procyanidin B1

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Deleted or Replaced CAS Registry Numbers

75923-51-2

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