Primary Record
Pavetannin B-1
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 99649072
- SMILES
- C1[C@@H]([C@@H](OC2=C1C(=CC(=C2[C@H]3[C@H]([C@H](OC4=C3C(=CC5=C4[C@H]6[C@H]([C@@](O5)(OC7=CC(=CC(=C67)O)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
- Canonical SMILES
- Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]4c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2
Names & Synonyms
- Pavetannin B-1
- ZINC150343272
- J454.251G
- (1S,5R,6R,7R,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
- (2R,15R)-2alpha,8-Bis(3,4-dihydroxyphenyl)-4alpha-[[(2S)-2beta-(3,4-dihydroxyphenyl)-3,4-dihydro-3beta,5,7-trihydroxy-2H-1-benzopyran]-8-yl]-3,4-dihydro-8alpha,14alpha-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3alpha,5,11,13,15-pentol