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Substance Name: 14-Deacetyl-14-isobutyrylnudicauline
RN: 254876-71-6
InChIKey: XHBNFOLVAHXXMZ-AJVMQKFISA-N

Molecular Formula

  • C40-H54-N2-O11

Molecular Weight

  • 738.8696
 
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Names and Synonyms

Results Name

  • 14-Deacetyl-14-isobutyrylnudicauline

Synonym

  • 14-Deacetyl-14-isobutyrylnudicauline

Systematic Name

  • Aconitane-7,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(((2-((3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-, 14-(2-methylpropanoate), (1alpha,6beta,14alpha,16beta)-

Registry Numbers

CAS Registry Number

  • 254876-71-6

System Generated Number

  • 0254876716

Structure Descriptors

InChI

1S/C40H54N2O11/c1-8-41-18-37(19-52-35(46)22-11-9-10-12-25(22)42-28(43)15-21(4)33(42)44)14-13-27(50-6)39-24-16-23-26(49-5)17-38(47,29(24)30(23)53-34(45)20(2)3)40(48,36(39)41)32(51-7)31(37)39/h9-12,20-21,23-24,26-27,29-32,36,47-48H,8,13-19H2,1-7H3/t21-,23+,24+,26-,27-,29+,30-,31+,32-,36?,37-,38+,39-,40+/m0/s1

InChIKey

XHBNFOLVAHXXMZ-AJVMQKFISA-N

Smiles

CCN1C[C@]2(COC(=O)c3ccccc3N4C(=O)C[C@H](C)C4=O)CC[C@H](OC)[C@@]56[C@@H]7C[C@@H]8[C@H](C[C@@](O)([C@H]7[C@H]8OC(=O)C(C)C)[C@@](O)([C@@H](OC)[C@H]25)C16)OC