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Proanthocyanidins

CAT: 0926-FP73771-02Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0926-FP73771-02Size:1000 mg
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CAS Number
20347-71-1
MDL Number
MFCD01662851
Smiles
C1C (C (OC2=CC (=CC (=C21) O) O) C3=CC (=C (C=C3) O) O) OC4 (C (C (C5=C (C=C (C=C5O4) O) O) O) O) C6=CC (=C (C=C6) O) O
Molecular Formula
C30H26O13
Molecular Weight
594.52 g/mol
Controlled
No

Chemical Information

Procyanidin

Procyanidin is oligomeric compounds, formed from catechin and epicatechin molecules. They yield cyanidin when depolymerized under oxidative conditions.

CAS Number20347-71-1
PubChem CID107876
IUPAC Name2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4-dihydrochromene-3,4,5,7-tetrol
Molecular FormulaC30H26O13
Molecular Weight594.5
XLogP2
Topological Polar Surface Area230
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Heavy Atom Count43
Formal Charge0
Complexity957
SMILES
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC4(C(C(C5=C(C=C(C=C5O4)O)O)O)O)C6=CC(=C(C=C6)O)O
InChI
InChI=1S/C30H26O13/c31-14-7-19(35)16-11-25(28(41-23(16)9-14)12-1-3-17(33)20(36)5-12)43-30(13-2-4-18(34)21(37)6-13)29(40)27(39)26-22(38)8-15(32)10-24(26)42-30/h1-10,25,27-29,31-40H,11H2
InChIKey
HGVVOUNEGQIPMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Procyanidin
CAS: 20347-71-1
CID: 107876
Formula: C30H26O13
MW: 594.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.5
XLogP32
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Exact Mass594.13734088
Monoisotopic Mass594.13734088
Topological Polar Surface Area230 Ų
Heavy Atom Count43
Formal Charge0
Complexity957
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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