CAS 31701-93-6: 1-[(2R,3R)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-8-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5H-benzocyclohepten-5-one

Description: The chemical substance with the name "1-[(2R,3R)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-8-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5H-benzocyclohepten-5-one" and CAS number 31701-93-6 is a complex organic compound characterized by its polyphenolic structure. It features multiple hydroxyl (-OH) groups, which contribute to its potential antioxidant properties. The presence of benzopyran and benzocycloheptene moieties suggests that it may exhibit biological activity, possibly influencing various biochemical pathways. This compound is likely to be soluble in polar solvents due to its hydroxyl groups, and its stability may be influenced by pH and temperature. Additionally, the stereochemistry indicated by the (2R,3R) and (2R,3S) configurations suggests that it may have specific interactions with biological targets, making it of interest in medicinal chemistry and pharmacology. Overall, this compound's unique structural features may confer significant functional properties, warranting further investigation for potential applications in health and disease.

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+/m0/s1

InChI key: InChIKey=IPMYMEWFZKHGAX-XDPYCTQPSA-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-[(2R,3R)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-8-[(2R,3S)-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-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-8-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-
• 5H-Benzocyclohepten-5-one, 3,4,6-trihydroxy-1,8-bis(3,5,7-trihydroxy-2-chromanyl)-
• 5H-Benzocyclohepten-5-one,1,8-bis(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-,[2S-[2a(2S*,3R*),3a]]-
• 5H-Benzocyclohepten-5-one,1-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-8-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-(9CI)
• 5H-Benzocyclohepten-5-one,3,4,6-trihydroxy-1,8-bis(3,5,7-trihydroxy-2-chromanyl)- (7CI,8CI)
• Isotheaflavin
• Neotheaflavin

Isotheaflavin

CAS: 31701-93-6

• Formula: C₂₉H₂₄O₁₂
• Molecular weight: 564.50

Isotheaflavin

CAS: 31701-93-6

• Formula: C₂₉H₂₄O₁₂
• Purity: 95%~99%
• Molecular weight: 564.499

Isotheaflavin

CAS: 31701-93-6

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• Formula: C₂₉H₂₄O₁₂
• Purity: Min. 95%
• Molecular weight: 564.5 g/mol