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Substance Name: Solanidan-3-ol, (3beta,5alpha,22beta)-
RN: 3922-07-4
InChIKey: JALVTHFTYRPDMB-OFMODGJOSA-N

Molecular Formula

  • C27-H45-N-O

Molecular Weight

  • 399.6585
 
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Names and Synonyms

Synonym

  • 22-Isodemissidine

Systematic Name

  • Solanidan-3-ol, (3beta,5alpha,22beta)-

Registry Numbers

CAS Registry Number

  • 3922-07-4

System Generated Number

  • 0003922074

Structure Descriptors

InChI

1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1

InChIKey

JALVTHFTYRPDMB-OFMODGJOSA-N

Smiles

N12[C@@H]3[C@@H]([C@@]4([C@H]([C@H]5[C@@H]([C@@]6([C@@H](CC5)C[C@H](CC6)O)C)CC4)C3)C)[C@@H]([C@@H]1CC[C@@H](C2)C)C