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Substance Name: N-Benzoylbuxidienine C 16-acetate
RN: 126035-07-2
InChIKey: WMQZHAXDHLCTLV-UHFFFAOYSA-N

Molecular Formula

  • C35-H50-N2-O4

Molecular Weight

  • 562.79
 
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Names and Synonyms

  • N-Benzoylbuxidienine C 16-acetate
  • O-Acetyl-N-benzoylbuxidienine

Registry Numbers

CAS Registry Number

  • 126035-07-2

System Generated Number

  • 0126035072

Structure Descriptors

InChI

1S/C35H50N2O4/c1-22(37(6)7)31-29(41-23(2)39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-38)36-32(40)24-11-9-8-10-12-24/h8-12,17,19,22,27-31,38H,13-16,18,20-21H2,1-7H3,(H,36,40)

InChIKey

WMQZHAXDHLCTLV-UHFFFAOYSA-N

Smiles

C=1C=2[C@@H](CC[C@@H]3[C@@](CO)(C)[C@@H](NC(c4ccccc4)=O)CCC13)[C@@]1(C)C[C@@H]([C@@H]([C@@H](C)N(C)C)[C@@]1(C)CC2)OC(C)=O