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Substance Name: (3aR-(3aalpha,4alpha,5beta,6aalpha))-4-(2-Bromo-5-cyclohexyl-3-oxopent-1-enyl)hexahydro-2-oxo-2H-cyclopenta(b)furan-5-yl benzoate
RN: 94157-85-4
InChIKey: GRPVBGGGDYVDES-MTJSOVHGSA-N

Molecular Formula

  • C25-H29-Br-O5

Molecular Weight

  • 489.4031
 
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Names and Synonyms

Synonym

  • EINECS 303-053-0

Systematic Name

  • (3aR-(3aalpha,4alpha,5beta,6aalpha))-4-(2-Bromo-5-cyclohexyl-3-oxopent-1-enyl)hexahydro-2-oxo-2H-cyclopenta(b)furan-5-yl benzoate

Registry Numbers

CAS Registry Number

  • 94157-85-4

System Generated Number

  • 0094157854

Structure Descriptors

InChI

1S/C25H29BrO5/c26-21(22(27)9-7-16-4-2-1-3-5-16)12-17-6-8-20(23(28)13-17)25(29)31-19-14-18-10-11-30-24(18)15-19/h10,12,14-17,20H,1-9,11,13H2/b21-12-

InChIKey

GRPVBGGGDYVDES-MTJSOVHGSA-N

Smiles

C1(C(=O)OC2=CC3=CCOC3=C2)C(=O)CC(/C=C(/C(=O)CCC2CCCCC2)Br)CC1