Structure

Procyanidin B1

CAS
20315-25-7
Catalog Number
ACM20315257
Category
Other Products
Molecular Weight
578.52
Molecular Formula
C30H26O12

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Specification

Synonyms
(2R,2'R,3R,3'S,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-4,8'-bichroman-3,3',5,5',7,7'-hexol
IUPAC Name
(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Canonical SMILES
C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
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
InChI Key
XFZJEEAOWLFHDH-UKWJTHFESA-N
Boiling Point
955.3±65.0 °C
Melting Point
231-232 °C
Density
1.705±0.06 g/ml
Appearance
Powder
pKa
9.29±0.60
What is the molecular formula of Procyanidin B1?

The molecular formula of Procyanidin B1 is C30H26O12.

What is the molecular weight of Procyanidin B1?

The molecular weight of Procyanidin B1 is 578.5 g/mol.

Where can Procyanidin B1 be found?

Procyanidin B1 can be found in Cinnamomum verum (Ceylon cinnamon), Uncaria guianensis (cat's claw), Vitis vinifera (common grape vine), and peach.

What role does Procyanidin B1 play as described in the reference?

Procyanidin B1 has a role as a metabolite, an EC 3.4.21.5 (thrombin) inhibitor, and an anti-inflammatory agent.

What is the IUPAC name of Procyanidin B1?

The IUPAC name of Procyanidin B1 is (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol.

What is the InChIKey of Procyanidin B1?

The InChIKey of Procyanidin B1 is XFZJEEAOWLFHDH-UKWJTHFESA-N.

What is the CAS number for Procyanidin B1?

The CAS number for Procyanidin B1 is 20315-25-7.

How many hydrogen bond donor counts does Procyanidin B1 have?

Procyanidin B1 has 10 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Procyanidin B1 have?

Procyanidin B1 has 12 hydrogen bond acceptor counts.

What is the XLogP3-AA value of Procyanidin B1?

The XLogP3-AA value of Procyanidin B1 is 2.4.

Downstream Synthesis Route 1

  • 20315-25-7
  • 37064-35-0
  • 128837-34-3
  • 154-23-4

Reference: [1]Phytochemistry,1990,vol. 29,p. 1671 - 1674

Downstream Synthesis Route 2

  • 20315-25-7
  • 103883-03-0

Reference: [1]Chemical and pharmaceutical bulletin,1987,vol. 35,p. 149 - 155
[2]Tetrahedron Letters,2000,vol. 41,p. 485 - 488

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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