Cas no 35356-34-4 ([4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol,2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-)

[4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol,2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro- structure
35356-34-4 structure
Product Name:[4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol,2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-
CAS No:35356-34-4
MF:C30H26O12
MW:578.520249843597
CID:310579
PubChem ID:130556
Update Time:2025-04-19

[4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol,2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro- Chemical and Physical Properties

Names and Identifiers

    • [4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol,2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-
    • Ent-Epicatechin(4a->8)catechin
    • 4,8 inverted exclamation marka-Bi-[(+)-epicatechin]
    • Proanthocyanidin B2
    • Proanthocyanidin B2;(?)-Epicatechin-(4(c)micro inverted exclamation markE8)-(?)-epicatechin
    • SCHEMBL4750189
    • CHEBI:173294
    • 15514-06-4
    • BCP29181
    • Procyanidin B
    • Procyanidin D
    • cis,cis inverted exclamation marka-4,8 inverted exclamation marka-Bi(3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-pentahydroxyflavane)
    • BCP29180
    • 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chromane-3,5,7-triol
    • [4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-
    • Procyanidol D
    • (4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-
    • Proanthocyanidin B1;Procyanidin dimer B1
    • NCI60_000946
    • A918727
    • (2R,2'R,3S,3'S,4S)-2,2'-Bis(3,4-dihydroxyphenyl)-[4,8'-bichroman]-3,3',5,5',7,7'-hexaol
    • FT-0686683
    • 8-(3,3',4',5,7-pentahydroxyflavan-4-yl)-3,3',4',5,7-pentahydroxyflavan
    • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
    • NSC143099
    • 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
    • 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chroman-3,5,7-triol
    • Procyanidin-B4;(+)-Catechin-(4a?8)-(-)-epicatechin; (-)-Procyanidin B4; Catechin-(4a?8)-epicatechin; Procyanidol B4;CATECHIN-(4ALPHA->8)-EPICATECHIN
    • 35356-34-4
    • ent-Epicatechin(4alpha->8)catechin
    • BCP29179
    • B0005-464483
    • 71328-22-8
    • NSC 143099
    • FT-0686682
    • FT-0775556
    • SCHEMBL14339427
    • CHEMBL1253314
    • DTXSID00935146
    • Ent-Epicatechin-(4alpha->8)-catechin
    • 2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-[4,8'-bi-1-benzopyran]-3,3',5,5',7,7'-hexol
    • 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
    • InChI Key： XFZJEEAOWLFHDH-UHFFFAOYSA-N
    • SMILES： O1C2C=C(C=C(C=2C(C2=C(C=C(C3CC(C(C4C=CC(=C(C=4)O)O)OC2=3)O)O)O)C(C1C1C=CC(=C(C=1)O)O)O)O)O

Computed Properties

  • Exact Mass: 578.142
  • Monoisotopic Mass: 578.142
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 3
  • Complexity: 925
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 221A^2
  • XLogP3: 2.4

Experimental Properties

  • Density: 1.705
  • Boiling Point: 955.3°C at 760 mmHg
  • Flash Point: 531.6°C

[4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol,2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro- Related Literature

Related Categories

35356-34-4 ([4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol,2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-) Related Products

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