CAS No.84745-95-9,Eriocalyxin B Suppliers

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Basic Information

Molecular Structure:
CAS No.:	84745-95-9
Name:	Eriocalyxin B

Formula:	C₂₀H₂₄O₅
Molecular Weight:	344.408
Synonyms:	Kaura-2,16-diene-1,15-dione,7,20-epoxy-6,7- dihydroxy-,(6a,7R)-;Rabdosianone I;
Density:	1.37 g/cm³
Boiling Point:	551.1 °C at 760 mmHg
Flash Point:	198.9 °C
PSA:	83.83000
LogP:	1.38900

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Specification

The Eriocalyxin B, with the CAS registry number 84745-95-9, has molecular formula C₂₀H₂₄O₅. In addition, this chemical's molecular weight is 344.4016. Its systematic name is called (6α,7α,8α,10α,13α)-6,7-dihydroxy-7,20-epoxykaura-2,16-diene-1,15-dione.

Physical properties of Eriocalyxin B: (1)ACD/LogP: 2.16; (2)ACD/LogD (pH 5.5): 2.16; (3)ACD/LogD (pH 7.4): 2.16; (4)ACD/BCF (pH 5.5): 25.84; (5)ACD/BCF (pH 7.4): 25.83; (6)ACD/KOC (pH 5.5): 356.89; (7)ACD/KOC (pH 7.4): 356.81; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.626; (12)Molar Refractivity: 88.87 cm³; (13)Molar Volume: 250.8 cm³; (14)Surface Tension: 60.1 dyne/cm; (15)Density: 1.37 g/cm³; (16)Flash Point: 198.9 °C; (17)Enthalpy of Vaporization: 95.56 kJ/mol; (18)Boiling Point: 551.1 °C at 760 mmHg; (19)Vapour Pressure: 1.93E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C/C(C)(C)[C@@H]5[C@]14[C@@H]2CC[C@H]3C(/C(=O)[C@@]2(C3)[C@](O)(OC4)[C@H]5O)=C
(2)InChI: InChI=1/C20H24O5/c1-10-11-4-5-12-18-9-25-20(24,19(12,8-11)15(10)22)16(23)14(18)17(2,3)7-6-13(18)21/h6-7,11-12,14,16,23-24H,1,4-5,8-9H2,2-3H3/t11-,12+,14-,16+,18-,19+,20-/m1/s1
(3)InChIKey: RTIKCEKESDRWAE-UJVKWQRCBL