Cas no 119239-49-5 (Gomisin S)

Gomisin S structure
Gomisin S structure
Product Name:Gomisin S
CAS No:119239-49-5
MF:C23H30O7
MW:418.480107784271
CID:150247
PubChem ID:14213995
Update Time:2025-04-19

Gomisin S Chemical and Physical Properties

Names and Identifiers

    • Dibenzo[a,c]cyclooctene-3,8-diol,5,6,7,8-tetrahydro-1,2,10,11,12-pentamethoxy-6,7-dimethyl-, (6S,7S,8S,12aS)-
    • Gomisin S
    • Dibenzo[a,c]cyclooctene-3,8-diol,5,6,7,8-tetrahydro-1,2,10,11,12-pentamethoxy-6,7-dimethyl-, stereoisomer
    • (6S,7S,8S,12aS)-5,6,7,8-Tetrahydro-1,2,10,11,12-pentamethoxy-6,7-dimethyldibenzo[a,c]cyclooctene-3,8-diol
    • CHEMBL2313596
    • CS-0140216
    • E88829
    • HY-N8158
    • (9S,10S,11S)-3,4,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-5,11-diol
    • FS-7929
    • 119239-49-5
    • AKOS040760434
    • DA-63863
    • (9S,10S,11S)-3,4,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0(2),?]hexadeca-1(12),2(7),3,5,13,15-hexaene-5,11-diol
    • (9S,10S,11S)-3,4,14,15,16-pentamethoxy-9,10-dimethyltricyclo(10.4.0.02,7)hexadeca-1(16),2,4,6,12,14-hexaene-5,11-diol
    • Inchi: 1S/C23H30O7/c1-11-8-13-9-15(24)20(27-4)22(29-6)17(13)18-14(19(25)12(11)2)10-16(26-3)21(28-5)23(18)30-7/h9-12,19,24-25H,8H2,1-7H3/t11-,12-,19-/m0/s1
    • InChI Key: FNANNZAGLCKFOL-ZKTNFTSUSA-N
    • SMILES: O[C@@H]1C2C=C(C(=C(C=2C2C(=C(C(=CC=2C[C@H](C)[C@@H]1C)O)OC)OC)OC)OC)OC

Computed Properties

  • Exact Mass: 418.19915329g/mol
  • Monoisotopic Mass: 418.19915329g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 5
  • Complexity: 546
  • 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: 3.8
  • Topological Polar Surface Area: 86.6?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.172±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 594.3±50.0 °C at 760 mmHg
  • Flash Point: 313.2±30.1 °C
  • Solubility: Very slightly soluble (0.18 g/l) (25 o C),
  • Vapor Pressure: 0.0±1.8 mmHg at 25°C

Gomisin S Security Information

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