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Substance Name: Ivalbatin Acetate
RN: 37163-91-0
InChIKey: HDGJZUYCLFNJBX-NWLYGAKOSA-N

Molecular Formula

  • C17-H22-O5

Molecular Weight

  • 306.3558
 
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Names and Synonyms

Results Name

  • Ivalbatin Acetate

Synonyms

  • Acetylivalbatin
  • Ivalbatin Acetate
  • NSC 290136
  • NSC290136

Systematic Name

  • 6-Methyl-3-methylene-2-oxo-7-(3-oxobutyl)-3,3a,4,5,6,8a-hexahydro-2H-cyclohepta(b)furan-5-yl acetate

Registry Numbers

CAS Registry Number

  • 37163-91-0

System Generated Number

  • 0037163910

Structure Descriptors

InChI

1S/C17H22O5/c1-9(18)5-6-13-7-16-14(11(3)17(20)22-16)8-15(10(13)2)21-12(4)19/h7,10,14-16H,3,5-6,8H2,1-2,4H3/t10-,14+,15-,16+/m1/s1

InChIKey

HDGJZUYCLFNJBX-NWLYGAKOSA-N

Smiles

C[C@H]1[C@@H](C[C@@H]2[C@H](C=C1CCC(=O)C)OC(=O)C2=C)OC(=O)C