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Substance Name: Hetisan-11-one, 6,13-dihydroxy-, (13S)-
RN: 115610-46-3
InChIKey: QGHUQYREUKNVFY-SWKKZXMPSA-N

Molecular Formula

  • C20-H25-N-O3

Molecular Weight

  • 327.422
 
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Names and Synonyms

Synonym

  • Spirasine XII

Systematic Name

  • Hetisan-11-one, 6,13-dihydroxy-, (13S)-

Registry Numbers

CAS Registry Number

  • 115610-46-3

System Generated Number

  • 0115610463

Structure Descriptors

InChI

1S/C20H25NO3/c1-9-6-18-7-20(24)16-17(2)4-3-5-19(16)14(18)13(23)10(9)12(22)11(18)15(19)21(20)8-17/h10-12,14-16,22,24H,1,3-8H2,2H3/t10-,11+,12?,14+,15?,16+,17-,18?,19?,20-/m0/s1

InChIKey

QGHUQYREUKNVFY-SWKKZXMPSA-N

Smiles

O[C@]12[C@@H]3[C@@]4(CCC[C@@]53[C@@H]([C@@H]3[C@@]6(CC([C@@H](C([C@@H]56)=O)[C@H]3O)=C)C1)[N@@]2C4)C