Cas no 145400-02-8 ((4R,4aR,6S,8aR)-6-Isopropyl-4,8a-dimethyldecahydronaphthalene-1,4,6-triol)

(4R,4aR,6S,8aR)-6-Isopropyl-4,8a-dimethyldecahydronaphthalene-1,4,6-triol structure
145400-02-8 structure
Product Name:(4R,4aR,6S,8aR)-6-Isopropyl-4,8a-dimethyldecahydronaphthalene-1,4,6-triol
CAS No:145400-02-8
MF:C15H28O3
MW:256.381025314331
CID:98049
PubChem ID:71307321
Update Time:2025-04-18

(4R,4aR,6S,8aR)-6-Isopropyl-4,8a-dimethyldecahydronaphthalene-1,4,6-triol Chemical and Physical Properties

Names and Identifiers

    • (4R,4aR,6S,8aR)-6-Isopropyl-4,8a-dimethyldecahydronaphthalene-1,4,6-triol
    • 1,4,7-Eudesmanetriol
    • 1,4,6-Naphthalenetriol,decahydro-4,8a-dimethyl-6-(1-methylethyl)-, (1R,4S,4aR,6S,8aR)-
    • 1,4,6-Naphthalenetriol,decahydro-4,8a-dimethyl-6-(1-methylethyl)-, [1R-(1a,4a,4ab,6b,8aa)]-
    • 1b,4b,7a-Trihydroxyeudesmane
    • Eudesmane-1b,4b,7a-triol
    • [ "" ]
    • Eudesmane-1β,4β,7α-triol
    • 145400-02-8
    • 1,4,6-Naphthalenetriol, decahydro-4,8a-dimethyl-6-(1-methylethyl)-, (1R,4S,4aR,6S,8aR)-
    • (4R,4aR,6S,8aR)-4,8a-dimethyl-6-propan-2-yl-2,3,4a,5,7,8-hexahydro-1H-naphthalene-1,4,6-triol
    • eudesmane-1beta,4beta,7alpha-triol
    • CHEBI:132902
    • A-Trihydroxyeudesmane
    • 1
    • 1beta,4beta,7alpha-eudesmanetriol
    • eudesmane-1,4,7-triol
    • A,4
    • FS-10385
    • (1R,4S,4aR,6S,8aR)-Decahydro-4,8a-dimethyl-6-(1-methylethyl)-1,4,6-naphthalenetriol
    • (-)-1beta,4beta,7alpha-trihydroxyeudesmane
    • A,7
    • HY-N0988
    • DTXSID901129745
    • CHEMBL4217186
    • CS-0016130
    • 1beta,4beta,7alpha-trihydroxyeudesmane
    • (1R,4S,4aR,6S,8aR)-4,8a-dimethyl-6-(propan-2-yl)decahydronaphthalene-1,4,6-triol
    • (1R,4S,4aR,6S,8aR)-4,8a-dimethyl-6-propan-2-yl-2,3,4a,5,7,8-hexahydro-1H-naphthalene-1,4,6-triol
    • 1,4,7-Trihydroxyeudesmane
    • AKOS040760867
    • AKOS032948300
    • A884624
    • B0005-166613
    • ConMedNP.2723
    • DA-59809
    • (1R,4S,4aR,6S,8aR)-6-isopropyl-4,8a-dimethyl-hexahydro-1H-naphthalene-1,4,6-triol
    • Inchi: 1S/C15H28O3/c1-10(2)15(18)8-7-13(3)11(9-15)14(4,17)6-5-12(13)16/h10-12,16-18H,5-9H2,1-4H3/t11-,12-,13-,14+,15+/m1/s1
    • InChI Key: HZQODNRPUJAVLV-ZSAUSMIDSA-N
    • SMILES: O[C@@]1(C)CC[C@H]([C@]2(C)CC[C@@](C(C)C)(C[C@H]21)O)O

Computed Properties

  • Exact Mass: 256.20400
  • Monoisotopic Mass: 256.204
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 330
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 60.7A^2
  • XLogP3: 1.9

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 375.7±42.0 °C at 760 mmHg
  • Flash Point: 170.5±22.5 °C
  • PSA: 60.69000
  • LogP: 2.08560
  • Vapor Pressure: 0.0±1.9 mmHg at 25°C

(4R,4aR,6S,8aR)-6-Isopropyl-4,8a-dimethyldecahydronaphthalene-1,4,6-triol Security Information

(4R,4aR,6S,8aR)-6-Isopropyl-4,8a-dimethyldecahydronaphthalene-1,4,6-triol Pricemore >>

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