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Substance Name: Bicycloalternarene 9
RN: 103873-58-1
InChIKey: JVIKZUOZRRYIMX-VGOFMYFVSA-N

Molecular Formula

  • C21-H32-O4

Molecular Weight

  • 348.48
 
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Names and Synonyms

Results Name

  • Bicycloalternarene 9

Synonym

  • Bicycloalternarene 9

Systematic Name

  • 2-Cyclohexen-1-one, 2-((5-(1,5-dimethyl-1,4-hexadienyl)-2-hydroxy-2-methylcyclopentyl)methyl)-3,6-dihydroxy-

Registry Numbers

CAS Registry Number

  • 103873-58-1

System Generated Number

  • 0103873581

Structure Descriptors

InChI

1S/C21H32O4/c1-13(2)6-5-7-14(3)15-10-11-21(4,25)17(15)12-16-18(22)8-9-19(23)20(16)24/h6-7,15,17,19,22-23,25H,5,8-12H2,1-4H3/b14-7+

InChIKey

JVIKZUOZRRYIMX-VGOFMYFVSA-N

Smiles

C1(C(=C(CC[C@@H]1O)O)C[C@@H]1[C@@](CC[C@@H]1C(=C/C\C=C(\C)C)\C)(C)O)=O