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Substance Name: Repandusinic acid B
RN: 125445-50-3
InChIKey: MOXIBUYRLMGMJE-UHFFFAOYSA-N

Molecular Formula

  • C48-H34-O33

Molecular Weight

  • 1138.76
 
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Names and Synonyms

  • Repandusinic acid B

Registry Numbers

CAS Registry Number

  • 125445-50-3

System Generated Number

  • 0125445503

Structure Descriptors

InChI

1S/C48H34O33/c49-15-1-9(2-16(50)27(15)56)43(70)81-48-36(65)40-38(78-47(74)13(7-22(54)55)26-25-11(4-18(52)29(58)33(25)62)45(72)79-39(26)42(68)69)21(77-48)8-75-44(71)10-3-17(51)28(57)32(61)23(10)24-12(46(73)80-40)6-20(31(60)34(24)63)76-37-14(41(66)67)5-19(53)30(59)35(37)64/h1-7,21,26,36,38-40,48-53,56-65H,8H2,(H,54,55)(H,66,67)(H,68,69)

InChIKey

MOXIBUYRLMGMJE-UHFFFAOYSA-N

Smiles

C(\C(O[C@@H]1[C@@H]2OC(=O)c3c(c4c(cc(c(c4O)O)O)C(OC[C@@H]1O[C@@H]([C@@H]2O)OC(=O)c1cc(c(c(c1)O)O)O)=O)c(c(c(Oc1c(cc(c(c1O)O)O)C(=O)O)c3)O)O)=O)([C@@H]1[C@@H](OC(=O)c2c1c(c(c(O)c2)O)O)C(=O)O)=C/C(=O)O