Phyllanthoside

CAS Registry Number®

63166-73-4

CAS Name

Phyllanthoside

Molecular Formula

C40H52O17

Molecular Mass

804.83

Cite this Page

Phyllanthoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=63166-73-4 (retrieved 2024-11-05) (CAS RN: 63166-73-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H52O17/c1-19-17-48-40(16-28(19)54-29(43)14-11-24-9-7-6-8-10-24)39(18-49-39)26-13-12-25(15-27(26)57-40)36(47)56-38-35(34(53-23(5)42)31(45)21(3)51-38)55-37-32(46)33(52-22(4)41)30(44)20(2)50-37/h6-11,14,19-21,25-28,30-35,37-38,44-46H,12-13,15-18H2,1-5H3/b14-11+/t19-,20-,21-,25+,26+,27-,28+,30-,31-,32-,33+,34+,35-,37+,38+,39+,40+/m1/s1

InChIKey

InChIKey=VOTNXJVGRXZYOA-VFRDRLLTSA-N

SMILES

O(C(/C=C/C1=CC=CC=C1)=O)[C@H]2C[C@]3([C@@]4([C@@]5([C@](O3)(C[C@@H](C(O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](OC(C)=O)[C@H](O)[C@@H](C)O7)[C@@H](OC(C)=O)[C@H](O)[C@@H](C)O6)=O)CC5)[H])[H])CO4)OC[C@H]2C

Canonical SMILES

O=C(OC1CC2(OCC1C)OC3CC(C(=O)OC4OC(C)C(O)C(OC(=O)C)C4OC5OC(C)C(O)C(OC(=O)C)C5O)CCC3C62OC6)C=CC=7C=CC=CC7

Other Names for this Substance

  • β-D-Glucopyranose, 2-O-(3-O-acetyl-6-deoxy-β-D-glucopyranosyl)-6-deoxy-, 3-acetate 1-[(2R,2′S,3′aS,4′′S,5′′R,6′S,7′aR)-decahydro-5′′-methyl-4′′-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]dispiro[oxirane-2,3′(2′H)-benzofuran-2′,2′′-[2H]pyran]-6′-carboxylate]
  • β-D-Glucopyranose, 2-O-(3-O-acetyl-6-deoxy-β-D-glucopyranosyl)-6-deoxy-, 3-acetate 1-[decahydro-5′′-methyl-4′′-[(1-oxo-3-phenyl-2-propenyl)oxy]dispiro[oxirane-2,3′(2′H)-benzofuran-2′,2′′-[2H]pyran]-6′-carboxylate], [2′S-[2′α[4′′R*(E),5′′S*],3′β,3′aα,6′α,7′aα]]-
  • β-D-Glucopyranose, 2-O-(3-O-acetyl-6-deoxy-β-D-glucopyranosyl)-6-deoxy-, 3-acetate 1-[(2R,2′S,3′aS,4′′S,5′′R,6′S,7′aR)-decahydro-5′′-methyl-4′′-[[(2E)-1-oxo-3-phenyl-2-propenyl]oxy]dispiro[oxirane-2,3′(2′H)-benzofuran-2′,2′′-[2H]pyran]-6′-carboxylate]
  • Dispiro[oxirane-2,3′(2′H)-benzofuran-2′,2′′-[2H]pyran], β-D-glucopyranose deriv.
  • Phyllanthoside

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