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Substance Name: 5-Chloroisorotiorin
RN: 27527-41-9
UNII: AFB4KX29XT
InChIKey: QJSWSNAZIVGTFZ-UNSJDTSZSA-N

Molecular Formula

  • C23-H23-Cl-O5

Molecular Weight

  • 414.8827
 
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Names and Synonyms

Name of Substance

  • 5-Chloroisorotiorin

Synonyms

  • (+)-5-Chloroisorotiorin
  • 5-Chloroisorotiorin
  • 6H-Furo(2,3-H)-2-benzopyran-6,8(6ah)-dione, 9-acetyl-5-chloro-3-((1E,3E,5S)-3,5-dimethyl-1,3-heptadienyl)-6a-methyl-, (6aR)-
  • 6H-Furo(2,3-H)-2-benzopyran-6,8(6ah)-dione, 9-acetyl-5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-6a-methyl-, (R-(R*,S*-(E,E)))-
  • Isochlororotiorin
  • UNII-AFB4KX29XT

Registry Numbers

CAS Registry Number

  • 27527-41-9

FDA UNII

  • AFB4KX29XT

System Generated Number

  • 0027527419

Structure Descriptors

InChI

1S/C23H23ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-28-15)19-18(14(4)25)22(27)29-23(19,5)21(26)20(16)24/h7-12H,6H2,1-5H3/b8-7+,13-9+/t12-,23+/m0/s1

InChIKey

QJSWSNAZIVGTFZ-UNSJDTSZSA-N

Smiles

CC[C@H](C)\C=C(/C)\C=C\C1=CC2=C(Cl)C(=O)[C@]3(C)OC(=O)C(=C3C2=CO1)C(=O)C