Cas no 5986-49-2 (Palustrol (Ledum))

Palustrol (Ledum) structure
Palustrol (Ledum) structure
Product Name:Palustrol (Ledum)
CAS No:5986-49-2
MF:C15H26O
MW:222.366344928741
MDL:MFCD17214907
CID:372371
PubChem ID:110745
Update Time:2025-04-19

Palustrol (Ledum) Chemical and Physical Properties

Names and Identifiers

    • Palustrol (Ledum)
    • (-)(1aR)-4at-Hydroxy-1.1.4ξ.7t-tetramethyl-(1arH.7atH.7bcH)-decahydro-1H-cycloprop[e]azulen
    • PALUSTROL
    • 1-Aromadendranol
    • [ "1-Aromadendranol" ]
    • 1,1,4,7-Tetramethyldecahydro-4ah-cyclopropa[e]azulen-4a-ol #
    • 4aH-Cycloprop[e]azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a.alpha.,4.beta.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]-
    • 5986-49-2
    • SCHEMBL14034257
    • QWRTXOOFEHOROQ-UHFFFAOYSA-N
    • 4aH-Cycloprop(e)azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-, (1aR-(1aalpha,4beta,4abeta,7alpha,7abeta,7balpha))-
    • 4aH-Cycloprop[e]azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-
    • (+)-palustrol
    • 1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[h]azulen-4a-ol
    • Diepi-palustrol
    • (1aR,4S,4aS,7R,7aS,7bR)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4a-ol
    • 1,1,4,7-Tetramethyldecahydro-4ah-cyclopropa[e]azulen-4a-ol
    • NS00067892
    • DTXSID20975261
    • 4aH-Cycloprop[e]azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-, (1aR,4S,4aS,7R,7aS,7bR)-
    • Q67880165
    • AKOS028109719
    • (1aS,4R,4aR,7S,7aR,7bS)-1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa(h)azulen-4a-ol
    • 4aH-Cycloprop(e)azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-
    • DA-66468
    • 1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa(h)azulen-4a-ol
    • (1aS,4R,4aR,7S,7aR,7bS)-1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[h]azulen-4a-ol
    • 4aH-Cycloprop(e)azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-, (1aR,4S,4aS,7R,7aS,7bR)-
    • 1,1,4,7-tetramethyl-octahydro-1aH-cyclopropa[e]azulen-4a-ol
    • (1aR,4S,4aS,7R,7aS,7bR)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa(e)azulen-4a-ol
    • MDL: MFCD17214907
    • Inchi: 1S/C15H26O/c1-9-7-8-15(16)10(2)5-6-11-13(12(9)15)14(11,3)4/h9-13,16H,5-8H2,1-4H3
    • InChI Key: QWRTXOOFEHOROQ-UHFFFAOYSA-N
    • SMILES: OC12CCC(C)C1C1C(CCC2C)C1(C)C

Computed Properties

  • Exact Mass: 222.19800
  • Monoisotopic Mass: 222.198365449g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 309
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Color/Form: Oil
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 293.7±8.0 °C at 760 mmHg
  • Flash Point: 123.0±10.9 °C
  • PSA: 20.23000
  • LogP: 3.46570
  • Vapor Pressure: 0.0±1.4 mmHg at 25°C

Palustrol (Ledum) Security Information

Palustrol (Ledum) Pricemore >>

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