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Substance Name: Neoagigenin
RN: 50863-63-3
InChIKey: FYRLHXNMINIDCB-WYJURPGESA-N

Molecular Formula

  • C27-H44-O5

Molecular Weight

  • 448.64
 
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Names and Synonyms

Results Name

  • Neoagigenin

Synonym

  • Neoagigenin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 50863-63-3

System Generated Number

  • 0050863633

Structure Descriptors

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?/m0/s1

InChIKey

FYRLHXNMINIDCB-WYJURPGESA-N

Smiles

C1[C@H]([C@@H](C[C@@H]2[C@@H](C[C@H]3[C@@H]4C[C@@H]5O[C@@]6([C@H]([C@H]5[C@@]4(C)CC[C@H]3[C@@]12C)C)OC[C@H](CC6)C)O)O)O