Cas no 81263-98-1 (ent-6,9-Dihydroxy-15-oxo-16-kauren-19-oic acid beta-D-glucopyranosyl ester)

ent-6,9-Dihydroxy-15-oxo-16-kauren-19-oic acid beta-D-glucopyranosyl ester structure
81263-98-1 structure
Product Name:ent-6,9-Dihydroxy-15-oxo-16-kauren-19-oic acid beta-D-glucopyranosyl ester
CAS No:81263-98-1
MF:C26H38O10
MW:510.573929309845
CID:837538
PubChem ID:98049796
Update Time:2025-04-19

ent-6,9-Dihydroxy-15-oxo-16-kauren-19-oic acid beta-D-glucopyranosyl ester Chemical and Physical Properties

Names and Identifiers

    • ent-6,9-Dihydroxy-15-oxo-16-kauren-19-oic acid beta-D-glucopyranosyl ester
    • ent-6,9-Dihydroxy-15-oxokaur-16-
    • ent-6,9-Dihydroxy-15-oxokaur-16-en-19-oic acid β-D-glucopyranosyl ester
    • 1-O-[(5β,6β,8α,9β,10α,13α)-6,9-Dihydroxy-15,18-dioxokaur-16-en-18 -yl]-β-D-glucopyranose
    • ENT-6,9-DIHYDROXY-15-OXOKAUR-16-EN-19-OIC ACID BETA-DGLUCOPYRANOSYL ESTER
    • ent-6,9-Dihydroxy-15-oxokaur-16-en-19-oic acid beta-D-glucopyranosyl ester
    • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,3R,4S,5R,9R,10R,13R)-3,10-dihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
    • FS-9059
    • AKOS040761673
    • 81263-98-1
    • copyranosyl ester
    • [ "" ]
    • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,3R,4S,5R,9R,10R,13R)-3,10-dihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0^{1,10.0^{4,9]hexadecane-5-carboxylate
    • Inchi: 1S/C26H38O10/c1-12-13-5-8-26(34)24(3)7-4-6-23(2,19(24)14(28)10-25(26,9-13)20(12)32)22(33)36-21-18(31)17(30)16(29)15(11-27)35-21/h13-19,21,27-31,34H,1,4-11H2,2-3H3/t13-,14-,15-,16-,17+,18-,19-,21+,23-,24-,25-,26-/m1/s1
    • InChI Key: NRUSGLWZCNYPPQ-OGJNIKTMSA-N
    • SMILES: O[C@@]12CC[C@H]3C(=C)C([C@@]1(C3)C[C@H]([C@@H]1[C@@](C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)(C)CCC[C@@]21C)O)=O

Computed Properties

  • Exact Mass: 510.24600
  • Monoisotopic Mass: 510.24649740g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 4
  • Complexity: 968
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 12
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.2
  • Topological Polar Surface Area: 174?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 707.4±60.0 °C at 760 mmHg
  • Flash Point: 234.7±26.4 °C
  • PSA: 173.98000
  • LogP: -0.43670
  • Vapor Pressure: 0.0±5.1 mmHg at 25°C

ent-6,9-Dihydroxy-15-oxo-16-kauren-19-oic acid beta-D-glucopyranosyl ester Security Information

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