Procyanidin A2

C30H24O12CAS 41743-41-3576.51 g/mol

Open in Covalent MOL file
HOHOOOHOHOOHHOOHOHOHO
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C30H24O12
Molar mass
576.51 g/mol
Exact mass
576.1268 Da
logP
2.79Crippen estimate
Polar surface area
209.8 Ų
H-bond donors / acceptors
9 / 12
Rotatable bonds
2
Stereocentres
S, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
41743-41-3
SMILES
Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2C1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4
InChIKey
NSEWTSAADLNHNH-OUWOJJBZSA-N
InChI
InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29?,30+/m1/s1

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Names and synonyms

13 names · show all
  • 8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol, 2,8-bis(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3R,8S,14R,15R)-
  • 8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol, 2,8-bis(3,4-dihydroxyphenyl)-3,4-dihydro-, [2R-(2α,3α,8β,14β,15R*)]-
  • (2R,3R,8S,14R,15R)-2,8-Bis(3,4-dihydroxyphenyl)-3,4-dihydro-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol
  • Dimeric catechin
  • Procyanidol A2
  • Proanthocyanidin A2
  • (+)-Proanthocyanidin A2
  • Procyanidin dimer A2
  • (+)-Epicatechin-(4β-8,2β-O-7)-epicatechin
  • Litchiderm IS 9704
  • Litchiderm LS 9704
  • Epicatechin-(4β→8,2β→O→7)-epicatechin
  • Proanthocyandin A-2

Work with Procyanidin A2

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Procyanidin B120315-25-765 % similar Procyanidin B323567-23-965 % similar Procyanidin B229106-49-865 % similar Procyanidin C137064-30-564 % similar Procyanidin4852-22-658 % similar Catechin154-23-456 % similar (-)-Catechol18829-70-456 % similar (+)-Epicatechin35323-91-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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