Cas no 72960-22-6 (Gomisin O)

Gomisin O structure
Gomisin O structure
Product Name:Gomisin O
CAS No:72960-22-6
MF:C23H28O7
MW:416.464227676392
CID:2029599
PubChem ID:5317808
Update Time:2025-04-21

Gomisin O Chemical and Physical Properties

Names and Identifiers

    • 6-epi-gomisin O
    • epigomisin
    • Epigomisin O
    • gomisin E
    • Gomisin O
    • (5R,6S,7S,13aS)-5,6,7,8-Tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-5-ol
    • GWDFJIBHVSYXQL-UHFFFAOYSA-N
    • 1,2,3,13-Tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-5-ol #
    • 3,4,5,19-Tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12
    • 203U4U9E2M
    • Q27253411
    • AKOS037515110
    • GomisinO
    • MS-27243
    • Benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-ol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (5R,6S,7S)-
    • CS-0019558
    • (8R,9S,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-ol
    • 72960-22-6
    • UNII-203U4U9E2M
    • SCHEMBL1788230
    • CHEMBL522973
    • HY-N2235
    • Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-5-ol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (5R,6S,7S,13aS)-
    • DA-73841
    • (8R,9S,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0(2),?.0(1)?,(1)?]nonadeca-1(12),2(7),3,5,13,18-hexaen-8-ol
    • 5,6,7,8-Tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethylbenzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-5-ol
    • FG74447
    • Inchi: 1S/C23H28O7/c1-11-7-13-8-16-21(30-10-29-16)22(27-5)17(13)18-14(19(24)12(11)2)9-15(25-3)20(26-4)23(18)28-6/h8-9,11-12,19,24H,7,10H2,1-6H3/t11-,12-,19+/m0/s1
    • InChI Key: GWDFJIBHVSYXQL-SYTFOFBDSA-N
    • SMILES: O[C@H]1C2C=C(C(=C(C=2C2C(=C3C(=CC=2C[C@H](C)[C@@H]1C)OCO3)OC)OC)OC)OC

Computed Properties

  • Exact Mass: 416.18400
  • Monoisotopic Mass: 416.18350323 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 4
  • Complexity: 574
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4
  • Topological Polar Surface Area: 75.6
  • Molecular Weight: 416.5

Experimental Properties

  • Color/Form: Powder
  • Density: 1.204±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 575.6±50.0 °C at 760 mmHg
  • Flash Point: 301.9±30.1 °C
  • Solubility: Almost insoluble (0.017 g/l) (25 o C),
  • PSA: 75.61000
  • LogP: 3.97840
  • Vapor Pressure: 0.0±1.7 mmHg at 25°C

Gomisin O Pricemore >>

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