Cas no 2571-86-0 (Coriamyrtin)

Coriamyrtin structure
Coriamyrtin structure
Product Name:Coriamyrtin
CAS No:2571-86-0
MF:C15H18O5
MW:278.30
CID:259592
PubChem ID:433737
Update Time:2025-04-25

Coriamyrtin Chemical and Physical Properties

Names and Identifiers

    • Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2'R,5S,6aR,7aR,8R)-
    • Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,hexahydro-1b-hy...
    • Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethe
    • (+)-coriamyrtin
    • Coriamyrtin
    • Coriamyrtione
    • 2571-86-0
    • DTXSID50948589
    • Spiro[2,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2.alpha.H)-one, 1a.beta.,1b,5.alpha.,6,6a,7a.beta.-hexahydro-1b.alpha.-hydroxy-8.alpha.-isopropenyl-6a.alpha.-methyl-
    • Spiro[2,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one, hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-, [1aS-(1a.alpha.,1b.beta.,2.beta.,5.beta.,6a.beta.,7.beta.,7a.alpha.,8S*)]-
    • WLN: T D3 C575 A EO GX KOVTJ AY1&U1 CQ H1 G-& BT3OTJ
    • Spiro(2,4]cyclopent[1,2-d]oxepin-7,2'-oxiran)-3(2H)-one, hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-, (1aS-(1a.alpha.,1b.beta.,2.beta.,5.beta.,6a.beta.,7.beta.,7a.alpha.,8S*))-
    • NSC337768
    • 2-hydroxy-7-methyl-12-prop-1-en-2-ylspiro[4, 10-dioxatetracyclo[7.2.1.02, 7.03, 5]dodecane-6, 2'-oxirane]-11-one
    • 2-hydroxy-7-methyl-12-prop-1-en-2-ylspiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxirane]-11-one
    • 1b-Hydroxy-6a-methyl-8-(prop-1-en-2-yl)hexahydrospiro[2,5-methanooxireno[3,4]cyclopenta[1,2-d]oxepine-7,2'-oxiran]-3(2H)-one
    • NSC-337768
    • SCHEMBL5454798
    • CHEBI:3882
    • (1S,2R,3S,5R,6R,7R,9S,12R)-2-Hydroxy-7-methyl-12-prop-1-en-2-ylspiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxirane]-11-one
    • C09379
    • NS00120562
    • Q2997284
    • Inchi： 1S/C15H18O5/c1-6(2)8-7-4-13(3)14(5-18-14)10-11(20-10)15(13,17)9(8)12(16)19-7/h7-11,17H,1,4-5H2,2-3H3/t7-,8+,9+,10+,11-,13-,14+,15-/m0/s1
    • InChI Key： BWWDLKVKPVKBGJ-TWMZOSGRSA-N
    • SMILES： O1[C@H]2[C@@H]1[C@]1(CO1)[C@]1(C)C[C@@]3([H])[C@@H](C(=C)C)[C@]([H])(C(=O)O3)[C@@]12O

Computed Properties

  • Exact Mass: 278.11500
  • Monoisotopic Mass: 278.11542367g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 1
  • Complexity: 573
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 8
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 71.6?2

Experimental Properties

  • Density: 1.1384 (rough estimate)
  • Melting Point: 229-230°
  • Boiling Point: 341.12°C (rough estimate)
  • Refractive Index: 1.6200 (estimate)
  • PSA: 71.59000
  • LogP: 0.41140
  • Specific Rotation: D14 +79°

Coriamyrtin Security Information

  • Toxicity：LD50 i.p. in mice: 3 mg/kg (Jarboe)

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