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Substance Name: Jurubidine
RN: 6084-44-2
InChIKey: BADUKLRFTFBRSD-PUHUBZITSA-N

Molecular Formula

  • C27-H45-N-O2

Molecular Weight

  • 415.6575
 
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Names and Synonyms

Name of Substance

  • Jurubidine

Synonym

  • (3beta,5alpha,25S)-Spirostan-3-amine

Systematic Name

  • Spirostan-3-amine, (3beta,5alpha,25S)-

Registry Numbers

CAS Registry Number

  • 6084-44-2

System Generated Number

  • 0006084442

Structure Descriptors

InChI

1S/C27H45NO2/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24H,5-15,28H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1

InChIKey

BADUKLRFTFBRSD-PUHUBZITSA-N

Smiles

C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)N)C)C)C)OC1