Cas no 30164-93-3 (Jasminin)

Jasminin structure
Jasminin structure
Product Name:Jasminin
CAS No:30164-93-3
MF:C26H38O12
MW:542.572729587555
CID:312345
PubChem ID:74184102
Update Time:2024-10-30

Jasminin Chemical and Physical Properties

Names and Identifiers

    • 9,12-Methano-6H,8H,14H-pyrano[3,4-c][1,7]dioxacyclododecin-6,14-dione,4-ethylidene-3-(b-D-glucopyranosyloxy)-3,4,4a,5,9,10,11,12-octahydro-10-(2-hydroxy-1-methylethyl)-15-methyl-(9CI)
    • Jasminin(8CI)
    • 4-Ethylidene-3-(β-D-glucopyranosyloxy)-3,4,4a,5,9,10,11,12-octahydro-10-(2-hydroxy-1-methylethyl)-15-methyl-9,12-methano-6H,8H,14H-pyrano[3,4-c][1,7]dioxacyclododecin-6,14-dione
    • 9,12-Methano-6H,8H,14H-pyrano[3,4-c][1,7]dioxacyclododecin-6,14-dione,4-ethylidene-3-(b-D-glucopyranosyloxy)-3,4,4a,5,9,10,11
    • Jasminin
    • CID 101290201
    • 9,12-Methano-6H,8H,14H-pyrano[3,4-c][1,7]dioxacyclododecin-6,14-dione, 4-ethylidene-3-(β-D-glucopyranosyloxy)-3,4,4a,5,9,10,11,12-octahydro-10-(2-hydroxy-1-methylethyl)-15-methyl-
    • Jasminin >=90% (LC/MS-ELSD)
    • 30164-93-3
    • 8-Ethylidene-15-(1-hydroxypropan-2-yl)-17-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadec-4-ene-3,11-dione
    • CHEBI:182005
    • Inchi: 1S/C26H38O12/c1-4-13-15-6-20(29)34-9-16-12(3)18(5-14(16)11(2)7-27)36-24(33)17(15)10-35-25(13)38-26-23(32)22(31)21(30)19(8-28)37-26/h4,10-12,14-16,18-19,21-23,25-28,30-32H,5-9H2,1-3H3/b13-4-/t11?,12?,14?,15?,16?,18?,19-,21-,22+,23-,25?,26+/m1/s1
    • InChI Key: NRVMCZSNPIHCNL-QSNNAOSGSA-N
    • SMILES: O1C(C2=COC(/C(=C\C)/C2CC(=O)OCC2C(C)C1CC2C(C)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)=O

Computed Properties

  • Exact Mass: 542.23632664g/mol
  • Monoisotopic Mass: 542.23632664g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 5
  • Complexity: 933
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 12
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Topological Polar Surface Area: 181
  • XLogP3: -0.3

Experimental Properties

  • Color/Form: Powder
  • Density: 1.4±0.1 g/cm3
  • Melting Point: 159-160 °C
  • Boiling Point: 818.0±65.0 °C at 760 mmHg
  • Flash Point: 271.1±27.8 °C
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C
  • pka: 12.74±0.70(Predicted)

Jasminin Security Information

Jasminin Pricemore >>

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TargetMol Chemicals
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