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Substance Name: Woodfordin B
RN: 127243-66-7
InChIKey: PWJROHFKBLXARN-UHFFFAOYSA-N

Molecular Formula

  • C75-H54-O48

Molecular Weight

  • 1723.2036
 
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Names and Synonyms

Results Name

  • Woodfordin B

Synonym

  • Woodfordin B

Systematic Name

  • D-Glucose, cyclic 4,6-((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 3-(3,4,5-trihydroxybenzoate), 2-ester with alpha-D-glucopyranose cyclic 4-2':6-2-((1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1,2,3-tris(3,4,5-trihydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 127243-66-7

System Generated Number

  • 0127243667

Structure Descriptors

InChI

1S/C75H54O48/c76-14-40(62(119-66(104)17-1-27(77)47(91)28(78)2-17)61-38(88)15-113-70(108)22-10-35(85)51(95)55(99)42(22)21-9-25(73(111)118-61)46(90)58(102)45(21)89)116-74(112)26-12-37(87)53(97)59(103)60(26)115-39-13-24-44(57(101)54(39)98)43-23(11-36(86)52(96)56(43)100)72(110)120-63-41(16-114-71(24)109)117-75(123-69(107)20-7-33(83)50(94)34(84)8-20)65(122-68(106)19-5-31(81)49(93)32(82)6-19)64(63)121-67(105)18-3-29(79)48(92)30(80)4-18/h1-14,38,40-41,61-65,75,77-103H,15-16H2

InChIKey

PWJROHFKBLXARN-UHFFFAOYSA-N

Smiles

c1c(cc(c(c1O)O)O)C(=O)OC2C3C(COC(=O)c4cc(c(c(c4-c5c(cc(c(c5O)O)O)C(=O)O3)O)O)Oc6c(cc(c(c6O)O)O)C(=O)OC(C=O)C(C7C(COC(=O)c8cc(c(c(c8-c9cc(c(c(c9O)O)O)C(=O)O7)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(C2OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O