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Substance Name: Neosolaniol 8-isobutyrate
RN: 111112-48-2
InChIKey: CZZOBJORBLRBLT-DSCHAYMESA-N

Molecular Formula

  • C23-H32-O9

Molecular Weight

  • 452.4968
 
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Names and Synonyms

Results Name

  • Neosolaniol 8-isobutyrate

Synonyms

  • 8-Isobutyrylneosolaniol
  • Neosolaniol 8-isobutyrate

Systematic Name

  • Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-(2-methylpropanoate), (3alpha,4beta,8alpha)-

Registry Numbers

CAS Registry Number

  • 111112-48-2

Other Registry Number

  • 116163-72-5

System Generated Number

  • 0111112482

Structure Descriptors

InChI

1S/C23H32O9/c1-11(2)20(27)31-15-8-22(9-28-13(4)24)16(7-12(15)3)32-19-17(26)18(30-14(5)25)21(22,6)23(19)10-29-23/h7,11,15-19,26H,8-10H2,1-6H3/t15-,16+,17+,18+,19+,21+,22+,23-/m0/s1

InChIKey

CZZOBJORBLRBLT-DSCHAYMESA-N

Smiles

CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)C(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C