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Substance Name: Obacunone
RN: 751-03-1
InChIKey: MAYJEFRPIKEYBL-OASIGRBWSA-N

Note

  • From bark of Chinese plant Phellodendron amurense; shortens sleeping time induced in mice by alpha-chloralose-urethane.

Molecular Formula

  • C26-H30-O7

Molecular Weight

  • 454.516
 
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Names and Synonyms

Name of Substance

  • Obacunone

Synonyms

  • AI3-37934
  • CCRIS 8657

Systematic Names

  • Obacunoic acid, eta-lactone
  • Oxireno(4,4a)-2-benzopyrano(6,5-g)(2)benzoxepin-3,5,9(3aH,4bH,6H)-trione, 1-(3-furanyl)-1,6a,7,11a,11b,12,13,13a-octahydro-4b,7,7,11a,13a-pentamethyl-, (1S,3aS,4aR,4bR,6aR,11aR,11bR,11bR,13aS)-

Registry Numbers

CAS Registry Number

  • 751-03-1

System Generated Number

  • 0000751031

Structure Descriptors

InChI

1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1

InChIKey

MAYJEFRPIKEYBL-OASIGRBWSA-N

Smiles

O1C(C=C[C@@]2([C@@H]3[C@@](C(C[C@@H]2C1(C)C)=O)([C@]12[C@H](C(O[C@H]([C@]2(C)CC3)c2cocc2)=O)O1)C)C)=O