Cas no 1188282-01-0 (1,2-Ethanediol,1-[(2S,4aR,4bS,7R,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl]-,2-acetate, (1R)-)

1,2-Ethanediol,1-[(2S,4aR,4bS,7R,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl]-,2-acetate, (1R)- structure
1188282-01-0 structure
Product Name:1,2-Ethanediol,1-[(2S,4aR,4bS,7R,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl]-,2-acetate, (1R)-
CAS No:1188282-01-0
MF:C22H36O4
MW:364.518847465515
CID:97698
PubChem ID:44607100
Update Time:2025-04-18

1,2-Ethanediol,1-[(2S,4aR,4bS,7R,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl]-,2-acetate, (1R)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Ethanediol,1-[(2S,4aR,4bS,7R,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl]-,2-acetate, (1R)-
    • (3α,5β,9β,10α,13α,15R)-3,15-Dihydroxypimar-8(14)-en-16-yl acetate
    • 1,2-Ethanediol,1-[(2S,4aR,4bS,7R,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl]
    • 16-O-Acetyldarutigenol
    • [ "" ]
    • FS-10205
    • DTXSID901101313
    • CS-0017257
    • 16-O-Acetyldarutigel
    • [(2R)-2-[(2S,4aR,4bS,7R,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-hydroxyethyl] acetate
    • 1,2-Ethanediol,1-[(2S,4aR,4bS,7R,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl]-,2-acetate,(1R)-
    • 1188282-01-0
    • HY-N1603
    • (2R)-2-[(2S,4aR,4bS,7R,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-Ddodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl]-2-hydroxyethyl acetate
    • AKOS032961633
    • DA-59887
    • Inchi: 1S/C22H36O4/c1-14(23)26-13-19(25)21(4)10-8-16-15(12-21)6-7-17-20(2,3)18(24)9-11-22(16,17)5/h12,16-19,24-25H,6-11,13H2,1-5H3/t16-,17-,18-,19+,21+,22+/m1/s1
    • InChI Key: INQYJHPSJRFCLW-MGNVCTHBSA-N
    • SMILES: O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@](C)([C@H](COC(C)=O)O)C=C3CC[C@@H]2C1(C)C

Computed Properties

  • Exact Mass: 364.26100
  • Monoisotopic Mass: 364.261
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 4
  • Complexity: 595
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 66.8A^2
  • XLogP3: 3.8

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 490.5±45.0 °C at 760 mmHg
  • Flash Point: 162.3±22.2 °C
  • PSA: 66.76000
  • LogP: 3.85030
  • Vapor Pressure: 0.0±2.8 mmHg at 25°C

1,2-Ethanediol,1-[(2S,4aR,4bS,7R,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl]-,2-acetate, (1R)- Security Information

1,2-Ethanediol,1-[(2S,4aR,4bS,7R,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl]-,2-acetate, (1R)- Pricemore >>

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1,2-Ethanediol,1-[(2S,4aR,4bS,7R,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl]-,2-acetate, (1R)- Related Literature

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