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Substance Name: 16,28-Secosolanidan-4-one, 3,23-dihydroxy-, (3beta,5alpha,22alpha,23beta,25beta)-
RN: 89945-96-0
InChIKey: XDHPRTNJRMRDCF-SJRFAFKCSA-N

Molecular Weight

  • 431.656
 
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Names and Synonyms

  • 16,28-Secosolanidan-4-one, 3,23-dihydroxy-, (3beta,5alpha,22alpha,23beta,25beta)-

Registry Numbers

CAS Registry Number

  • 89945-96-0

System Generated Number

  • 0089945960

Structure Descriptors

InChI

1S/C27H45NO3/c1-15-13-23(30)24(28-14-15)16(2)18-7-8-19-17-5-6-21-25(31)22(29)10-12-27(21,4)20(17)9-11-26(18,19)3/h15-24,28-30H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21-,22-,23+,24-,26+,27+/m0/s1

InChIKey

XDHPRTNJRMRDCF-SJRFAFKCSA-N

Smiles

C1C[C@@]2([C@H]3CC[C@@]4([C@@H]([C@@H]([C@H]5[C@@H](C[C@@H](CN5)C)O)C)CC[C@@H]4[C@@H]3CC[C@H]2C([C@H]1O)=O)C)C