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466-26-2

Basic Information
CAS No.: 466-26-2
Name: Aconitane-1,8,14-triol,20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, (1a,6a,14a,16b)-
Molecular Structure:
Molecular Structure of 466-26-2 (Aconitane-1,8,14-triol,20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, (1a,6a,14a,16b)-)
Formula: C24H39NO6
Molecular Weight: 437.57
Synonyms: BullatineB (7CI);Neoline (6CI,8CI);Dideacetyldelphisine;Xuan-Wu 3;
EINECS:
Density: 1.31 g/cm3
Melting Point: 159-161 deg
Boiling Point: 578.3 °C at 760 mmHg
Flash Point: 303.5 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 91.62000
LogP: 0.43990
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    Hight Quality Cas No.: 466-26-2 Formula: C24H39NO6 Mol Weight: 437.577 Botanical Source: Alkaloid from Aconitum bullatifolium var. homotrichum, Aconitum napellus, Aconitum nagarum, Aconitum sczukini, Aconitum soongoricum, Aconitum sachalinense

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  • High Purity Bullatine B

  • Casno:

    466-26-2

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  • Casno:

    466-26-2

    Bullatine B

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  • bullatine B

  • Casno:

    466-26-2

    bullatine B

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    COA,H-NMR,HPLC availableIn stock nowWe have offices in Boston,MA,USAWe ship it in real nameMerck and Sigma are our customersPayment:Credit card/Net 30 daysWeb:www.alliconpharma.com Storage:2-8°C, keep container tightly closed in a dry place, away fr

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  • Bullatine B

  • Casno:

    466-26-2

    Bullatine B

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Specification

This chemical is called Bullatine B, and its systematic name is 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)aconitane-1,8,14-triol. With the molecular formula of C24H39NO6, its molecular weight is 437.57. The CAS registry number of this chemical is 466-26-2.

Other characteristics of the Bullatine B can be summarised as followings: (1)ACD/LogP: -1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.65; (4)ACD/LogD (pH 7.4): -2.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.29; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 58.62 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 114.43 cm3; (15)Molar Volume: 333.3 cm3; (16)Polarizability: 45.36×10-24cm3; (17)Surface Tension: 58.3 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 303.5 °C; (20)Enthalpy of Vaporization: 99.38 kJ/mol; (21)Boiling Point: 578.3 °C at 760 mmHg; (22)Vapour Pressure: 8.84E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O(C)C3CC5(O)C6C2N(CC)CC1(C(C2(C(O)CC1)C4CC3C(O)C45)C6OC)COC
2.InChI: InChI=1/C24H39NO6/c1-5-25-10-22(11-29-2)7-6-15(26)24-13-8-12-14(30-3)9-23(28,16(13)18(12)27)17(21(24)25)19(31-4)20(22)24/h12-21,26-28H,5-11H2,1-4H3
3.InChIKey: XRARAKHBJHWUHW-UHFFFAOYAR