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Substance Name: Elaeocarpusin
RN: 102382-31-0
InChIKey: DGXJNCUJVTXKLQ-UHFFFAOYSA-N

Molecular Formula

  • C47-H34-O32

Molecular Weight

  • 1110.7536
 
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Names and Synonyms

Name of Substance

  • Elaeocarpusin

Synonym

  • Elaeocarpusin

Systematic Name

  • beta-D-Glucopyranose, cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) cyclic 2-5:4-4-(1,3'a,4,4a,5',6',6'a,9a-octahydro-1,3'a,6',7,8,9a-hexahydro-2',11-dioxospiro(1,4-ethano-3H-pyrano(3,4-b)benzofuran-3,3'(2'H)-furo(3,2-b)furan)-4,5-dicarboxylate) 1-(3,4,5-trihydroxybenzoate), stereoisomer

Registry Numbers

CAS Registry Number

  • 102382-31-0

System Generated Number

  • 0102382310

Structure Descriptors

InChI

1S/C47H34O32/c48-14-1-9(2-15(49)25(14)56)36(61)77-40-33-32-30(19(72-40)8-70-37(62)11-4-16(50)26(57)28(59)21(11)10-3-13(39(64)73-32)24(55)29(60)23(10)54)75-41(65)43-6-20(53)45(67,79-44(43)42(66)76-35-18(52)7-71-47(35,44)69)46(68)34(43)22-12(38(63)74-33)5-17(51)27(58)31(22)78-46/h1-5,18-19,30,32-35,40,48-52,54-60,67-69H,6-8H2

InChIKey

DGXJNCUJVTXKLQ-UHFFFAOYSA-N

Smiles

c1c(cc(c(c1O)O)O)C(=O)OC2C3C4C(C(O2)COC(=O)c5cc(c(c(c5-c6cc(c(c(c6O)O)O)C(=O)O4)O)O)O)OC(=O)C78CC(=O)C(C9(C7c1c(cc(c(c1O9)O)O)C(=O)O3)O)(OC81C(=O)OC2C1(OCC2O)O)O