(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl 1-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzocycloheptene-8-carboxylate

CAS Registry Number®

152542-70-6

CAS Name

(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl 1-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzocycloheptene-8-carboxylate

Molecular Formula

C43H32O19

Molecular Mass

852.70

Cite this Page

(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl 1-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzocycloheptene-8-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=152542-70-6 (retrieved 2024-11-26) (CAS RN: 152542-70-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H32O19/c44-18-8-25(47)22-13-34(40(59-32(22)10-18)15-1-2-24(46)27(49)4-15)61-42(57)16-3-20-21(12-31(53)39(56)36(20)38(55)30(52)5-16)41-35(14-23-26(48)9-19(45)11-33(23)60-41)62-43(58)17-6-28(50)37(54)29(51)7-17/h1-12,34-35,40-41,44-51,53-54,56H,13-14H2,(H,52,55)/t34-,35-,40-,41-/m1/s1

InChIKey

InChIKey=CTVQUVJPFDHBIP-NBNGAXDASA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)[C@H]2[C@H](OC=3C(C2)=C(O)C=C(O)C3)C4=C5C(=C(O)C(O)=C4)C(=O)C(O)=CC(C(O[C@H]6[C@H](OC=7C(C6)=C(O)C=C(O)C7)C8=CC(O)=C(O)C=C8)=O)=C5

Canonical SMILES

O=C(OC1CC=2C(O)=CC(O)=CC2OC1C=3C=C(O)C(O)=C4C(=O)C(O)=CC(=CC43)C(=O)OC5CC=6C(O)=CC(O)=CC6OC5C7=CC=C(O)C(O)=C7)C8=CC(O)=C(O)C(O)=C8

Other Names for this Substance

  • 5H-Benzocycloheptene-8-carboxylic acid, 1-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester
  • 5H-Benzocycloheptene-8-carboxylic acid, 1-[3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, [2R-[2α(2R*,3R*),3α]]-
  • (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl 1-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzocycloheptene-8-carboxylate
  • Theaflavate A

CAS INSIGHTSTM
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