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Substance Name: Bisdihydrobrusatolyl succinate
RN: 81612-57-9
InChIKey: USBSMPUYXKBFQC-UHFFFAOYSA-N

Molecular Formula

  • C56-H70-O24

Molecular Weight

  • 1127.15
 
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Names and Synonyms

Results Name

  • Bisdihydrobrusatolyl succinate

Synonym

  • Bisdihydrobrusatolyl succinate

Systematic Name

  • Picras-3-en-21-oic acid, 3,3'-((1,4-dioxo-1,4-butanediyl)bis(oxy))bis(13,20-epoxy-11,12-dihydroxy-15-(3-methyl-1-oxobutoxy)-2,16-dioxo-, dimethyl ester, (11beta,12alpha,15beta)-(11'beta,12'alpha,15'beta)-

Registry Numbers

CAS Registry Number

  • 81612-57-9

System Generated Number

  • 0081612579

Structure Descriptors

InChI

1S/C56H70O24/c1-21(2)13-33(61)79-39-43-53-19-73-55(43,49(69)71-9)45(65)35(63)41(53)51(7)17-27(57)37(23(5)25(51)15-29(53)75-47(39)67)77-31(59)11-12-32(60)78-38-24(6)26-16-30-54-20-74-56(50(70)72-10,46(66)36(64)42(54)52(26,8)18-28(38)58)44(54)40(48(68)76-30)80-34(62)14-22(3)4/h21-22,25-26,29-30,35-36,39-46,63-66H,11-20H2,1-10H3

InChIKey

USBSMPUYXKBFQC-UHFFFAOYSA-N

Smiles

O(C(CCC(OC1=C(C)[C@@H]2C[C@@H]3[C@@]45[C@@H]([C@@H]([C@@H]([C@@]([C@@H]5[C@@H](OC(CC(C)C)=O)C(=O)O3)(OC4)C(OC)=O)O)O)[C@@]2(C)CC1=O)=O)=O)C=1C(C[C@@]2([C@@H](C1C)C[C@@H]1[C@@]34[C@@H]([C@@H](C(O1)=O)OC(CC(C)C)=O)[C@@]([C@@H]([C@@H]([C@@H]23)O)O)(OC4)C(OC)=O)C)=O