Cas no 3264-90-2 (Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione,1-(3-furanyl)decahydro-11-hydroxy-4b,7,7,11a,13a-pentamethyl-,(1S,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)-)

Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione,1-(3-furanyl)decahydro-11-hydroxy-4b,7,7,11a,13a-pentamethyl-,(1S,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)- structure
3264-90-2 structure
Product Name:Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione,1-(3-furanyl)decahydro-11-hydroxy-4b,7,7,11a,13a-pentamethyl-,(1S,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)-
CAS No:3264-90-2
MF:C26H32O8
MW:472.527488708496
CID:295294
PubChem ID:139082180
Update Time:2025-04-19

Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione,1-(3-furanyl)decahydro-11-hydroxy-4b,7,7,11a,13a-pentamethyl-,(1S,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)- Chemical and Physical Properties

Names and Identifiers

    • Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione,1-(3-furanyl)decahydro-11-hydroxy-4b,7,7,11a,13a-pentamethyl-,(1S,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)-
    • Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione,1-(3-furanyl)decahydro-11-hydroxy-4b,7,7,11a,13a-pen
    • Deacetylnomilin
    • Deacetylnomilinate
    • Nomilin,deacetyl- (7CI)
    • Obacunoic acid, 1,2-dihydro-1-hydroxy-, e-lactone, (1S)-
    • HY-N12023
    • DTXSID001317020
    • 3264-90-2
    • CS-0890617
    • CHEMBL4750577
    • Isolimonin
    • (1R,2R,4S,7S,8S,11R,12R,13S,18R)-7-(furan-3-yl)-13-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosane-5,15,20-trione
    • Inchi： 1S/C26H32O8/c1-22(2)15-10-17(28)25(5)14(24(15,4)16(27)11-18(29)33-22)6-8-23(3)19(13-7-9-31-12-13)32-21(30)20-26(23,25)34-20/h7,9,12,14-16,19-20,27H,6,8,10-11H2,1-5H3/t14-,15+,16+,19+,20-,23+,24-,25+,26-/m1/s1
    • InChI Key： HWAJASVMTDEFJN-NEFLTLJKSA-N
    • SMILES： O1[C@@H]2C(=O)O[C@@H](C3=COC=C3)[C@]3(C)CC[C@@H]4[C@@]5(C)[C@H](CC(=O)OC(C)(C)[C@@H]5CC([C@@]4(C)[C@]132)=O)O

Computed Properties

  • Exact Mass: 472.20971797g/mol
  • Monoisotopic Mass: 472.20971797g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 1
  • Complexity: 976
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 116?2

Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione,1-(3-furanyl)decahydro-11-hydroxy-4b,7,7,11a,13a-pentamethyl-,(1S,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)- Related Literature

Related Categories

3264-90-2 (Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione,1-(3-furanyl)decahydro-11-hydroxy-4b,7,7,11a,13a-pentamethyl-,(1S,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)-) Related Products

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