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Substance Name: (3aR-(3aalpha,4alpha(S*),5beta,6aalpha))-4-(2-Bromo-5-cyclohexyl-3-hydroxypent-1-enyl)hexahydro-2-oxo-2H-cyclopenta(b)furan-5-yl benzoate
RN: 94157-84-3
InChIKey: GDOVIZMRQCTYJJ-ZRSUWSELSA-N

Molecular Formula

  • C25-H31-Br-O5

Molecular Weight

  • 491.4189
 
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Names and Synonyms

Synonym

  • EINECS 303-052-5

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 94157-84-3

System Generated Number

  • 0094157843

Structure Descriptors

InChI

1S/C25H31BrO5/c26-20(21(27)12-11-16-7-3-1-4-8-16)13-18-19-14-24(28)30-22(19)15-23(18)31-25(29)17-9-5-2-6-10-17/h2,5-6,9-10,13,16,18-19,21-23,27H,1,3-4,7-8,11-12,14-15H2/b20-13-/t18-,19-,21?,22+,23-/m1/s1

InChIKey

GDOVIZMRQCTYJJ-ZRSUWSELSA-N

Smiles

[C@H]1(/C=C(/C(CCC2CCCCC2)O)Br)[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC(=O)c1ccccc1