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Substance Name: Agigenin
RN: 55332-76-8
UNII: N5BOT0UHWR
InChIKey: FYRLHXNMINIDCB-LEGLVIAUSA-N

Note

  • An oxaspiro compound that is (25R)-5alpha-spirostan substituted by hydroxy groups at positions 2, 3 and 6 (the 2alpha,3beta,6beta stereoisomer). CHEBI ID:72849.

Molecular Formula

  • C27-H44-O5

Molecular Weight

  • 448.6396
 
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Names and Synonyms

Results Name

  • Agigenin

Name of Substance

  • Agigenin

Synonyms

  • Agigenin
  • UNII-N5BOT0UHWR

Systematic Name

  • Spirostan-2,3,6-triol, (2alpha,3beta,5alpha,6beta,25R)-

Registry Numbers

CAS Registry Number

  • 55332-76-8

FDA UNII

  • N5BOT0UHWR

System Generated Number

  • 0055332768

Structure Descriptors

InChI

InChI=1S/C27H44O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20-,21-,22-,23+,24+,25+,26-,27-/m1/s1

InChIKey

FYRLHXNMINIDCB-LEGLVIAUSA-N

Smiles

C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)[C@H](O)C[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C