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Substance Name: Vitisin A
RN: 142449-89-6
InChIKey: XAXVWWYPKOGXSY-DBHYGPPCSA-N

Molecular Weight

  • 906.936
 
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Names and Synonyms

  • Vitisin A

Registry Numbers

CAS Registry Number

  • 142449-89-6

System Generated Number

  • 0142449896

Structure Descriptors

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/s1

InChIKey

XAXVWWYPKOGXSY-DBHYGPPCSA-N

Smiles

O1c2c3c([C@H](c4cc(ccc4O)\C=C\c4c5c(cc(c4)O)O[C@@H]([C@H]5c4cc(cc(c4)O)O)c4ccc(cc4)O)[C@@H](c4ccc(O)cc4)c4c([C@H]3[C@H]1c1ccc(cc1)O)cc(cc4O)O)cc(c2)O