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73030-71-4

Basic Information
CAS No.: 73030-71-4
Name: Atractylenolide III
Article Data: 3
Molecular Structure:
Molecular Structure of 73030-71-4 (Atractylenolide III)
Formula: C15H20O3
Molecular Weight: 248.322
Synonyms: Naphtho[2,3-b]furan-2(4H)-one,4a,5,6,7,8,8a,9,- 9a-octahydro-9a-hydroxy-3,8a-dimethyl-5- methylene-,(4aS,8aR,9aS)-;Codonolactone;
Density: 1.18 g/cm3
Melting Point: 200-201oC
Boiling Point: 424.6 °C at 760 mmHg
Flash Point: 181.1 °C
PSA: 46.53000
LogP: 2.70470
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  • Atractylenolide III

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    73030-71-4

    Atractylenolide III

    Min.Order: 0

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    good quality, competitive price, thoughtful after sale serviceAppearance:white powder Storage:Keep it in dry,shady and cool place Package:20mg Application:Pharma;Industry;Agricultural;chemical reaserch Transportation:by express or by sea Port:Any por

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    Address:Building 6, No. 465, Changta Road,Songjiang District,Shanghai,China

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  • Atractylenolide III

  • Casno:

    73030-71-4

    Atractylenolide III

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Stock products, own laboratory Package:Grams, Kilograms Application:For R&D Transportation:According to customer request Port:Shanghai

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  • Atractylenolide III

  • Casno:

    73030-71-4

    Atractylenolide III

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    bulk?production Application:Pharmaceutical intermediates

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  • Atractylenolide III

  • Casno:

    73030-71-4

    Atractylenolide III

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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  • Atractylenolide III

  • Casno:

    73030-71-4

    Atractylenolide III

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Best Seller, High Quality, Competitive Price, Fast Delivery, Quick ResponseAppearance:powder, or liquid Storage:Stored in room temperature, ventilated place Package:Bottle, barrel, cargo, container, etc. Application:Pharmaceuticals, intermediates, AP

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Specification

The CAS register number of Atractylenolide III is 73030-71-4. It also can be called as Naphtho[2,3-b]furan-2(4H)-one,4a,5,6,7,8,8a,9,- 9a-octahydro-9a-hydroxy-3,8a-dimethyl-5- methylene-,(4aS,8aR,9aS)- and the IUPAC name about this chemical is 4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one. The molecular formula about this chemical is C15H20O3 and the molecular weight is 248.32. It belongs to the Miscellaneous Natural Products.

Physical properties about Atractylenolide III are: (1)ACD/LogP: 2.36; (2)ACD/LogD (pH 5.5): 2.36; (3)ACD/LogD (pH 7.4): 2.36; (4)ACD/BCF (pH 5.5): 36.64; (5)ACD/BCF (pH 7.4): 36.63; (6)ACD/KOC (pH 5.5): 458.27; (7)ACD/KOC (pH 7.4): 458.06; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 35.53Å2; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 67.75 cm3; (14)Molar Volume: 209.9 cm3; (15)Polarizability: 26.85x10-24cm3; (16)Surface Tension: 44 dyne/cm; (17)Enthalpy of Vaporization: 78.43 kJ/mol; (18)Boiling Point: 424.6 °C at 760 mmHg; (19)Vapour Pressure: 5.46E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1O[C@]2(O)/C(=C/1C)C[C@H]3\C(=C)CCC[C@@]3(C2)C
(2)InChI: InChI=1/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1
(3)InChIKey: FBMORZZOJSDNRQ-GLQYFDAEBM
(4)Std. InChI: InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1
(5)Std. InChIKey: FBMORZZOJSDNRQ-GLQYFDAESA-N