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Substance Name: Woodfordin I
RN: 145851-27-0
InChIKey: MNGUZAPPIPZQQR-UHFFFAOYSA-N

Molecular Formula

  • C75-H52-O49

Molecular Weight

  • 1737.1868
 
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Names and Synonyms

Results Name

  • Woodfordin I

Synonym

  • Woodfordin I

Systematic Name

  • D-Glucose,cyclic-4,6-((1S)-4,4'-bis(6-carboxy-2,3,4-trihydroxyphenoxy)-5,5',6,6'-tetrahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate)-3-(3,4,5-trihydroxybenzoate), cyclic diester with D-glucose cyclic 4-2':6-2-((1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-bipeenyl)-2,2'-dicarboxylate)-(3,4,5-trihydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 145851-27-0

System Generated Number

  • 0145851270

Structure Descriptors

InChI

1S/C75H52O49/c76-12-38-65(123-68(106)16-1-25(78)44(88)26(79)2-16)63-33(86)14-114-70(108)19-10-36(51(95)54(98)41(19)40-18(72(110)121-63)5-29(82)46(90)53(40)97)117-61-23(7-31(84)48(92)58(61)102)74(112)120-39(13-77)66(124-69(107)17-3-27(80)45(89)28(81)4-17)64-34(87)15-115-71(109)20-9-35(116-60-22(67(104)105)6-30(83)47(91)57(60)101)50(94)55(99)42(20)43-21(73(111)122-64)11-37(52(96)56(43)100)118-62-24(75(113)119-38)8-32(85)49(93)59(62)103/h1-13,33-34,38-39,63-66,78-103H,14-15H2,(H,104,105)

InChIKey

MNGUZAPPIPZQQR-UHFFFAOYSA-N

Smiles

c1c(cc(c(c1O)O)O)C(=O)OC2C(OC(=O)c3cc(c(c(c3Oc4cc5c(c(c4O)O)-c6c(cc(c(c6O)O)Oc7c(cc(c(c7O)O)O)C(=O)O)C(=O)OCC(C(C(C(OC(=O)c8cc(c(c(c8Oc9cc1c(c(c9O)O)-c3c(cc(c(c3O)O)O)C(=O)OC2C(COC1=O)O)O)O)O)C=O)OC(=O)c1cc(c(c(c1)O)O)O)OC5=O)O)O)O)O)C=O