Cas no 3484-46-6 (Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,hexahydro-1b,6,8-trihydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2'R,5S,6S,6aR,7aR,8S)-)

Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,hexahydro-1b,6,8-trihydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2'R,5S,6S,6aR,7aR,8S)- structure
3484-46-6 structure
Product Name:Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,hexahydro-1b,6,8-trihydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2'R,5S,6S,6aR,7aR,8S)-
CAS No:3484-46-6
MF:C15H18O7
MW:310.299225330353
CID:316469
PubChem ID:442276
Update Time:2025-04-19

Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,hexahydro-1b,6,8-trihydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2'R,5S,6S,6aR,7aR,8S)- 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,6,8-trihydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2'R,5S,6S,6aR,7aR,8S)-
    • Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,hexahydro-1b,6,8-trihydroxy-6a-methyl-8-(1-met
    • C09502
    • (1S,2R,3S,5R,6R,7R,8S,9S)-2,8,12-trihydroxy-7-methyl-12-prop-1-en-2-ylspiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxirane]-11-one
    • Hyenanchin
    • Spiro(2,5-methano-7H-oxireno(3,4)cyclopent(1,2-d)oxepin-7,2'-oxiran)-3(2H)-one, hexahydro-1b,6,8-trihydroxy-6a-methyl-8-(1-methylethenyl)-, (1aS-(1aalpha,1bbeta,2beta,5beta,6alpha,6abeta,7beta,7aalpha,8R*))-
    • Mellitoxine
    • Mellitoxin
    • Hyenancine
    • UNII-6Y532H6TUO
    • 6Y532H6TUO
    • CHEBI:6737
    • 3484-46-6
    • Dataset-S1.335
    • Inchi： 1S/C15H18O7/c1-5(2)14(18)6-11(17)22-8(14)7(16)12(3)13(4-20-13)9-10(21-9)15(6,12)19/h6-10,16,18-19H,1,4H2,2-3H3/t6-,7+,8-,9+,10-,12-,13+,14?,15-/m0/s1
    • InChI Key： DWCJGLPGZULWPZ-GEETXFABSA-N
    • SMILES： O1[C@H]2[C@@H]1[C@]1(CO1)[C@]1(C)[C@@H]([C@H]3C(C(=C)C)([C@H](C(=O)O3)[C@@]12O)O)O

Computed Properties

  • Exact Mass: 310.105
  • Monoisotopic Mass: 310.105
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 1
  • Complexity: 648
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.6
  • Topological Polar Surface Area: 112?2

Experimental Properties

  • Density: 1.63
  • Melting Point: 225-235°
  • Boiling Point: 601.9°Cat760mmHg
  • Flash Point: 231.4°C
  • Refractive Index: 1.667
  • Specific Rotation: D15 +14.7° (water)

Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,hexahydro-1b,6,8-trihydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2'R,5S,6S,6aR,7aR,8S)- Related Literature

3484-46-6 (Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one,hexahydro-1b,6,8-trihydroxy-6a-methyl-8-(1-methylethenyl)-,(1aS,1bR,2S,2'R,5S,6S,6aR,7aR,8S)-) Related Products

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