(2R,2′R,3R,3′R,4R)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-3,5,5′,7,7′-pentahydroxy-2-(3,4,5-trihydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3′-yl 3,4,5-trihydroxybenzoate
CAS Registry Number®
126715-82-0
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CAS Name
(2R,2′R,3R,3′R,4R)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-3,5,5′,7,7′-pentahydroxy-2-(3,4,5-trihydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3′-yl 3,4,5-trihydroxybenzoateMolecular Formula
C37H30O17Molecular Mass
746.62Cite this Page
(2R,2′R,3R,3′R,4R)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-3,5,5′,7,7′-pentahydroxy-2-(3,4,5-trihydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3′-yl 3,4,5-trihydroxybenzoate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=126715-82-0 (retrieved ) (CAS RN: 126715-82-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C37H30O17/c38-15-8-20(42)28-26(9-15)52-35(13-4-22(44)31(48)23(45)5-13)33(50)30(28)29-21(43)11-18(40)16-10-27(53-37(51)14-6-24(46)32(49)25(47)7-14)34(54-36(16)29)12-1-2-17(39)19(41)3-12/h1-9,11,27,30,33-35,38-50H,10H2/t27-,30-,33-,34-,35-/m1/s1
InChIKey
InChIKey=LQQNPVZIFKLQPE-RGOYVLDUSA-N
SMILES
O[C@@H]1[C@H](C=2C(O[C@@H]1C3=CC(O)=C(O)C(O)=C3)=CC(O)=CC2O)C4=C5C(C[C@@H](OC(=O)C6=CC(O)=C(O)C(O)=C6)[C@H](O5)C7=CC(O)=C(O)C=C7)=C(O)C=C4O
Canonical SMILES
O=C(OC1CC2=C(O)C=C(O)C(=C2OC1C3=CC=C(O)C(O)=C3)C4C=5C(O)=CC(O)=CC5OC(C6=CC(O)=C(O)C(O)=C6)C4O)C7=CC(O)=C(O)C(O)=C7
Other Names for this Substance
- Benzoic acid, 3,4,5-trihydroxy-, (2R,2′R,3R,3′R,4R)-2′-(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-3,5,5′,7,7′-pentahydroxy-2-(3,4,5-trihydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3′-yl ester
- Benzoic acid, 3,4,5-trihydroxy-, 2′-(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-3,5,5′,7,7′-pentahydroxy-2-(3,4,5-trihydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3′-yl ester, [2R-[2α,3α,4β(2′R*,3′R*)]]-
- (2R,2′R,3R,3′R,4R)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-3,5,5′,7,7′-pentahydroxy-2-(3,4,5-trihydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3′-yl 3,4,5-trihydroxybenzoate
