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6858-85-1

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Basic Information
CAS No.: 6858-85-1
Name: 6,7-Didehydro-8β,10β-epoxy-3,4,7-trimethoxy-17-methylhasubanan-8-ol
Molecular Structure:
Molecular Structure of 6858-85-1 (6,7-Didehydro-8β,10β-epoxy-3,4,7-trimethoxy-17-methylhasubanan-8-ol)
Formula: C20H25NO5
Molecular Weight: 359.4162
Synonyms: Hasubanan-8-ol,6,7-didehydro-8,10-epoxy-3,- 4,7-trimethoxy-17-methyl-,(8a,10a)-;
Density: 1.35 g/cm3
Boiling Point: 544.4 °C at 760 mmHg
Flash Point: 283.1 °C
PSA: 68.23000
LogP: 1.89400
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Specification

The Prometaphanine is an organic compound with the formula C20H25NO5. The systematic name of this chemical is (8α,10α)-3,4,7-trimethoxy-17-methyl-6,7-didehydro-8,10-epoxyhasubanan-8-ol. The CAS registry number of this chemical is 6858-85-1. Besides, its molecular weight is 359.4162.

Physical properties about Prometaphanine are: (1)ACD/LogP: 3.19; (2)ACD/LogD (pH 5.5): 1.76; (3)ACD/LogD (pH 7.4): 3.07; (4)ACD/BCF (pH 5.5): 5.87; (5)ACD/BCF (pH 7.4): 118.17; (6)ACD/KOC (pH 5.5): 48.48; (7)ACD/KOC (pH 7.4): 976.51; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 49.39 Å2; (12)Index of Refraction: 1.636; (13)Molar Refractivity: 95.45 cm3; (14)Molar Volume: 265.9 cm3; (15)Polarizability: 37.84×10-24 cm3; (16)Surface Tension: 58.8 dyne/cm; (17)Density: 1.35 g/cm3; (18)Flash Point: 283.1 °C; (19)Enthalpy of Vaporization: 86.62 kJ/mol; (20)Boiling Point: 544.4 °C at 760 mmHg; (21)Vapour Pressure: 1.1E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C20H25NO5/c1-21-10-9-18-8-7-15(24-3)20(22)19(18,21)11-14(26-20)12-5-6-13(23-2)17(25-4)16(12)18/h5-7,14,22H,8-11H2,1-4H3/t14-,18?,19?,20+/m1/s1
(2)InChIKey: AKMIHNAUTMLDGR-CKIVDRAYBJ
(3)Std. InChI: InChI=1S/C20H25NO5/c1-21-10-9-18-8-7-15(24-3)20(22)19(18,21)11-14(26-20)12-5-6-13(23-2)17(25-4)16(12)18/h5-7,14,22H,8-11H2,1-4H3/t14-,18?,19?,20+/m1/s1
(4)Std. InChIKey: AKMIHNAUTMLDGR-CKIVDRAYSA-N