Cas no 66056-20-0 (Gomisin H)

Gomisin H structure
Gomisin H structure
Product Name:Gomisin H
CAS No:66056-20-0
MF:C23H30O7
MW:418.480107784271
CID:524416
Update Time:2025-04-19

Gomisin H Chemical and Physical Properties

Names and Identifiers

    • Dibenzo[a,c]cyclooctene-1,7-diol,5,6,7,8-tetrahydro-2,3,10,11,12-pentamethoxy-6,7-dimethyl-, (6S,7S,12aR)-
    • Gomisin H
    • Dibenzo[a,?c]?cyclooctene-?1,?7-?diol, 5,?6,?7,?8-?tetrahydro-?2,?3,?10,?11,?12-?pentamethoxy-?6,?7-?dimethyl-?, (6S,?7S,?12aR)?-
    • Dibenzo[a,c]cyclooctene-1,7-diol,5,6,7,8-tetrahydro-2,3,10,11,12-pentamethoxy-6,7-dimethyl-, stereoisomer
    • (6S,7S,12aR)-5,6,7,8-Tetrahydro-2,3,10,11,12-pentamethoxy-6,7-dimethyldibenzo[a,c]cyclooctene-1,7-diol
    • (9S,10R)-4,5,14,15,16-Pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexa
    • 4,5,14,15,16-Pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,10-
    • Inchi： 1S/C23H30O7/c1-12-8-13-9-15(26-3)20(28-5)19(24)17(13)18-14(11-23(12,2)25)10-16(27-4)21(29-6)22(18)30-7/h9-10,12,24-25H,8,11H2,1-7H3/t12-,23+/m0/s1
    • InChI Key： NLJJSPKWNBUDNS-DAOPMYJZSA-N
    • SMILES： O[C@]1(C)CC2C=C(C(=C(C=2C2C(=C(C(=CC=2C[C@@H]1C)OC)OC)O)OC)OC)OC

Computed Properties

  • Exact Mass: 418.19900
  • Monoisotopic Mass: 418.19915329 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 5
  • Complexity: 560
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.7
  • Topological Polar Surface Area: 86.6
  • Molecular Weight: 418.5

Experimental Properties

  • Color/Form: Powder
  • Density: 1.177±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.24 g/l) (25 o C),
  • PSA: 86.61000
  • LogP: 3.58790

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