Cas no 163660-06-8 (5,8-Epoxybenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole,5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (5S,6S,7R,8R,13aS)-)

5,8-Epoxybenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole,5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (5S,6S,7R,8R,13aS)- structure
163660-06-8 structure
Product Name:5,8-Epoxybenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole,5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (5S,6S,7R,8R,13aS)-
CAS No:163660-06-8
MF:C23H26O7
MW:414.448347568512
CID:164327
PubChem ID:44575997
Update Time:2025-04-19

5,8-Epoxybenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole,5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (5S,6S,7R,8R,13aS)- Chemical and Physical Properties

Names and Identifiers

    • 5,8-Epoxybenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole,5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (5S,6S,7R,8R,13aS)-
    • Kadsulignan L
    • 5,8-Epoxybenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole,5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, stereoisomer
    • (5S,6S,7R,8R,13aS)-5,6,7,8-Tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-5,8-epoxybenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole
    • 163660-06-8
    • CHEMBL485477
    • C23H26O7
    • Q15425792
    • FS-7934
    • Neokadsuranin
    • (1R,17S,18S,19R)-9,12,13,14-tetramethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.02,10.04,8.011,16]icosa-2,4(8),9,11,13,15-hexaene
    • Inchi: 1S/C23H26O7/c1-10-11(2)19-13-8-15-21(29-9-28-15)23(27-6)17(13)16-12(18(10)30-19)7-14(24-3)20(25-4)22(16)26-5/h7-8,10-11,18-19H,9H2,1-6H3/t10-,11+,18-,19+/m0/s1
    • InChI Key: RNIZTMIJCBCDBR-XJSVZPCESA-N
    • SMILES: O1[C@@H]2C3C=C(C(=C(C=3C3C(=C4C(=CC=3[C@H]1[C@H](C)[C@@H]2C)OCO4)OC)OC)OC)OC

Computed Properties

  • Exact Mass: 414.168
  • Monoisotopic Mass: 414.168
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 4
  • Complexity: 616
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 64.6A^2
  • XLogP3: 3.9

Experimental Properties

  • Color/Form: Powder
  • Density: 1.224±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (9.5E-4 g/L) (25 oC),

5,8-Epoxybenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole,5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (5S,6S,7R,8R,13aS)- Pricemore >>

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5,8-Epoxybenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole,5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (5S,6S,7R,8R,13aS)- Related Literature

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