Cas no 102681-52-7 (Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-1-ol,5,6,7,8-tetrahydro-2,3,13-trimethoxy-6,7-dimethyl-, (6R,7S,13aR)-)

Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-1-ol,5,6,7,8-tetrahydro-2,3,13-trimethoxy-6,7-dimethyl-, (6R,7S,13aR)- structure
102681-52-7 structure
Product Name:Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-1-ol,5,6,7,8-tetrahydro-2,3,13-trimethoxy-6,7-dimethyl-, (6R,7S,13aR)-
CAS No:102681-52-7
MF:C22H26O6
MW:386.438247203827
CID:144108
PubChem ID:128150
Update Time:2024-11-04

Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-1-ol,5,6,7,8-tetrahydro-2,3,13-trimethoxy-6,7-dimethyl-, (6R,7S,13aR)- Chemical and Physical Properties

Names and Identifiers

    • Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-1-ol,5,6,7,8-tetrahydro-2,3,13-trimethoxy-6,7-dimethyl-, (6R,7S,13aR)-
    • (+/-)-Gomisin M1
    • Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-1-ol,5,6,7,8-tetrahydro-2,3,13-trimethoxy-6,7-dimet...
    • Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-1-ol,5,6,7,8-tetrahydro-2,3,13-trimethoxy-6,7-dimethyl-,stereoisomer
    • Benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-1-ol,5,6,7,8-tetrahydro-2,3,13-trimethoxy-6,7-dimethyl-,(6R,7S)
    • Schisanhenol B
    • (6R,7S,13aR)-5,6,7,8-Tetrahydro-2,3,13-trimethoxy-6,7-dimethylbenzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-1-ol
    • DTXSID70145452
    • Q27275004
    • CHEMBL463499
    • D85023
    • Gomisin M
    • (+)-Schisanhenol B
    • AKOS040760817
    • 82467-50-3
    • Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-1-ol, 5,6,7,8-tetrahydro-2,3,13-trimethoxy-6,7-dimethyl-, (6R,7S,13aR)-rel-
    • BDBM50582612
    • 102681-52-7
    • Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-1-ol, 5,6,7,8-tetrahydro-2, 3,13-trimethoxy-6,7-dimethyl-
    • Benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-1-ol, 5,6,7,8-tetrahydro-2,3,13-trimethoxy-6,7-dimethyl-, (6R,7S)-
    • Schisanhenol-B
    • C0678JED3A
    • (9R,10S)-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-3-ol
    • 1350802-13-9
    • Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-1-ol, 5,6,7,8-tetrahydro-2,3,13-trimethoxy-6,7-dimethyl-, stereoisomer
    • Gomisin M1, (+/-)-
    • UNII-C0678JED3A
    • Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-1-ol, 5,6,7,8-tetrahydro-2, 3,13-trimethoxy-6,7-dimethyl-, stereoisomer
    • Inchi: 1S/C22H26O6/c1-11-6-13-8-15(24-3)20(25-4)19(23)17(13)18-14(7-12(11)2)9-16-21(22(18)26-5)28-10-27-16/h8-9,11-12,23H,6-7,10H2,1-5H3/t11-,12+/m1/s1
    • InChI Key: OGJPBGDUYKEQLA-NEPJUHHUSA-N
    • SMILES: O1COC2C1=CC1=C(C=2OC)C2C(=C(C(=CC=2C[C@@H](C)[C@@H](C)C1)OC)OC)O

Computed Properties

  • Exact Mass: 386.17300
  • Monoisotopic Mass: 386.17293854g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 3
  • Complexity: 529
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.8
  • Topological Polar Surface Area: 66.4?2

Experimental Properties

  • Density: 1.195±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (2.1E-3 g/L) (25 oC),
  • PSA: 66.38000
  • LogP: 4.18450

Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-1-ol,5,6,7,8-tetrahydro-2,3,13-trimethoxy-6,7-dimethyl-, (6R,7S,13aR)- Pricemore >>

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