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Substance Name: Shephagenin B
RN: 182166-72-9
InChIKey: GTUDIEGKNWRBKT-WIMKJKQSSA-N

Note

  • From leaf extract of Shepherdia argentea.

Molecular Formula

  • C34-H26-O23

Molecular Weight

  • 802.5564
 
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Names and Synonyms

Results Name

  • Shephagenin B

Synonym

  • Shephagenin B

Systematic Name

  • D-Gluconic acid, cyclic 2,3-((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 4,6-bis(3,4,5-trihydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 182166-72-9

System Generated Number

  • 0182166729

Structure Descriptors

InChI

1S/C34H26O23/c35-12-1-8(2-13(36)21(12)42)31(50)54-7-18(41)27(55-32(51)9-3-14(37)22(43)15(38)4-9)28-29(30(48)49)57-34(53)11-6-17(40)24(45)26(47)20(11)19-10(33(52)56-28)5-16(39)23(44)25(19)46/h1-6,18,27-29,35-47H,7H2,(H,48,49)/t18-,27-,28+,29-/m1/s1

InChIKey

GTUDIEGKNWRBKT-WIMKJKQSSA-N

Smiles

O[C@H](COC(=O)c1cc(O)c(O)c(O)c1)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4c5c(O)c(O)c(O)cc5C(=O)O[C@H]3C(=O)O