CAS 4670-05-7: 5H-Benzocyclohepten-5-one, 1,8-bis[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-
Description:5H-Benzocyclohepten-5-one, 1,8-bis[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy- is a complex organic compound characterized by its polyphenolic structure, which includes multiple hydroxyl groups contributing to its potential antioxidant properties. The presence of the benzocycloheptene moiety suggests a fused ring system that may influence its reactivity and stability. This compound is likely to exhibit solubility in polar solvents due to its hydroxyl groups, which can engage in hydrogen bonding. Its structural features may also impart biological activity, making it of interest in medicinal chemistry and natural product research. The specific stereochemistry indicated by the (2R,3R) configuration suggests that the compound may have distinct spatial arrangements that could affect its interaction with biological targets. Overall, this compound's unique structure and functional groups position it as a candidate for further investigation in various chemical and pharmaceutical applications.
Formula:C29H24O12
InChI:InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22-,28-,29-/m1/s1
InChI key:InChIKey=IPMYMEWFZKHGAX-ZKSIBHASSA-N
SMILES:O=C1C(O)=CC(=CC=2C1=C(O)C(O)=CC2C3OC=4C=C(O)C=C(O)C4CC3O)C5OC=6C=C(O)C=C(O)C6CC5O
- Synonyms:
- 1,8-Bis[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5H-benzocyclohepten-5-one
- 5H-Benzocyclohepten-5-one,1,8-bis(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-,[2R-[2a(2R*,3R*),3a]]-
- 5H-Benzocyclohepten-5-one,3,4,6-trihydroxy-1,8-bis(3a,5,7-trihydroxy-2a-chromanyl)-
- Theaflavin
- Theaflavin 1
- Theaflavine
- Xiayie