Names
Preferred IUPAC name (21S,26R,27S,4E,62S,63S)-27,62-Bis(4-hydroxyphenyl)-21,26,27,211b,62,63-hexahydro-2(1,6)-benzo[6,7]cyclohepta[1,2,3-cd][1]benzofurana-6(4,3)-[1]benzofurana-1,7(1),3(1,3)-tribenzenaheptaphan-4-ene-14,24,28,210,36,66,73,75-octol
Other names R2-Viniferin
Identifiers
CAS NumberY=
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
UNIIY
CompTox Dashboard (EPA)
InChI InChI=1S/C56H42O12/c57-33-10-4-28(5-11-33)49-51(42-23-40(64)26-47-53(42)54(43-22-39(63)24-45(66)52(43)49)56(68-47)30-8-14-35(59)15-9-30)41-17-27(2-16-44(41)65)1-3-31-18-38(62)25-46-48(31)50(32-19-36(60)21-37(61)20-32)55(67-46)29-6-12-34(58)13-7-29/h1-26,49-51,54-66H/b3-1+/t49-,50+,51+,54+,55-,56-/m1/s1Key: XAXVWWYPKOGXSY-DBHYGPPCSA-NInChI=1/C56H42O12/c57-33-10-4-28(5-11-33)49-51(42-23-40(64)26-47-53(42)54(43-22-39(63)24-45(66)52(43)49)56(68-47)30-8-14-35(59)15-9-30)41-17-27(2-16-44(41)65)1-3-31-18-38(62)25-46-48(31)50(32-19-36(60)21-37(61)20-32)55(67-46)29-6-12-34(58)13-7-29/h1-26,49-51,54-66H/b3-1+/t49-,50+,51+,54+,55-,56-/m1/s1Key: XAXVWWYPKOGXSY-DBHYGPPCBS
SMILES c1cc(ccc1[C@H]2c3c(cc(cc3O)O)[C@H]4c5c(cc(cc5O[C@@H]4c6ccc(cc6)O)O)[C@@H]2c7cc(ccc7O)/C=C/c8cc(cc9c8[C@@H]([C@H](O9)c1ccc(cc1)O)c1cc(cc(c1)O)O)O)O
Properties
Chemical formulaC56H42O12
Molar mass906.92 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is YN ?) Infobox references