Cas no 24405-57-0 (β-Rotunol)

β-Rotunol structure
β-Rotunol structure
Product Name:β-Rotunol
CAS No:24405-57-0
MF:C15H22O2
MW:234.333984851837
CID:1080949
PubChem ID:5321005
Update Time:2025-04-20

β-Rotunol Chemical and Physical Properties

Names and Identifiers

    • β-Rotunol
    • [ "" ]
    • AKOS032962635
    • (4aR,6R,8aS)-4a-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
    • HY-N2931
    • 24405-57-0
    • CS-0023545
    • beta-Rotunol
    • [4aR-(4aalpha,6alpha,8aalpha)]-4a,5,6,7,8,8a-hexahydro-4a-hydroxy-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone
    • [4aS-(4aalpha,6beta,8abeta)]-4a,5,6,7,8,8a-hexahydro-4a-hydroxy-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone
    • (+)-beta-Rotunol
    • (4aR)-4a,5,6,7,8,8a-Hexahydro-4aalpha-hydroxy-6alpha-isopropenyl-4,8aalpha-dimethylnaphthalene-2(1H)-one
    • Inchi： 1S/C15H22O2/c1-10(2)12-5-6-14(4)9-13(16)7-11(3)15(14,17)8-12/h7,12,17H,1,5-6,8-9H2,2-4H3/t12-,14+,15+/m1/s1
    • InChI Key： WDFLKCAWQQMJCA-SNPRPXQTSA-N
    • SMILES： O[C@@]12C(C)=CC(C[C@]1(C)CC[C@@H](C(=C)C)C2)=O

Computed Properties

  • Exact Mass: 234.16200
  • Monoisotopic Mass: 234.161979940g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 407
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.073±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 118-119 oC
  • Boiling Point: 351.4±42.0 °C at 760 mmHg
  • Flash Point: 149.7±20.5 °C
  • Solubility: Very slightly soluble (0.82 g/l) (25 o C),
  • PSA: 37.30000
  • LogP: 3.01910
  • Vapor Pressure: 0.0±1.7 mmHg at 25°C

β-Rotunol Security Information

β-Rotunol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
R31610-5mg
(4aR,6R,8aS)-4a-hydroxy-4,8a-dimethyl-6-(prop-1-en-2-yl)-4a,5,6,7,8,8a-hexahydronaphthalen-2(1H)-one
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SHANG HAI TAO SHU Biotechnology Co., Ltd.
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Cooke Chemical
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TargetMol Chemicals
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TargetMol Chemicals
TN3506-1 mL * 10 mM (in DMSO)
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TargetMol Chemicals
TN3506-1 ml * 10 mm
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 ￥ 3810 2024-07-20
A2B Chem LLC
AF36342-5mg
beta-Rotunol
 24405-57-0 97.0%
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 $660.00 2024-04-20

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