CAS No.119188-33-9,Coronarin A Suppliers

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Basic Information

Molecular Structure:
CAS No.:	119188-33-9
Name:	Coronarin A

Formula:	C₂₀H₂₈O₂
Molecular Weight:	300.4351
Synonyms:	2-Naphthalenol,4-[(1E)-2-(3-furanyl)ethenyl]- decahydro-4a,8,8-trimethyl-3-methylene-,(2S,4R,4aS,8aS)-;
Density:	1.05 g/cm³
Boiling Point:	401.1 °C at 760 mmHg
Flash Point:	196.4 °C
PSA:	33.37000
LogP:	5.06240

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Specification

The Coronarin A, with CAS registry number 119188-33-9, has the systematic name of (8S)-8-hydroxy-19,20-didehydro-5,6,7,8,10-hexahydro-20:5,10-dicycloretinal. And the chemical formula of this chemical is C₂₀H₂₈O₂.

Physical properties of Coronarin A: (1)ACD/LogP: 5.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.86; (4)ACD/LogD (pH 7.4): 5.86; (5)ACD/BCF (pH 5.5): 16762.18; (6)ACD/BCF (pH 7.4): 16762.18; (7)ACD/KOC (pH 5.5): 36758.94; (8)ACD/KOC (pH 7.4): 36758.94; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 22.37 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 90.17 cm³; (15)Molar Volume: 285.2 cm³; (16)Polarizability: 35.74×10^-24cm³; (17)Surface Tension: 40 dyne/cm; (18)Density: 1.05 g/cm³; (19)Flash Point: 196.4 °C; (20)Enthalpy of Vaporization: 68.77 kJ/mol; (21)Boiling Point: 401.1 °C at 760 mmHg; (22)Vapour Pressure: 3.73E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]3C(=C)/C(/C=C/c1ccoc1)C2(C)CCCC(C)(C)C2C3
(2)InChI: InChI=1/C20H28O2/c1-14-16(7-6-15-8-11-22-13-15)20(4)10-5-9-19(2,3)18(20)12-17(14)21/h6-8,11,13,16-18,21H,1,5,9-10,12H2,2-4H3/b7-6+/t16?,17-,18?,20?/m0/s1
(3)InChIKey: RHCBUXSXDFNUAG-ULNDCYAMBJ
(4)Std. InChI: InChI=1S/C20H28O2/c1-14-16(7-6-15-8-11-22-13-15)20(4)10-5-9-19(2,3)18(20)12-17(14)21/h6-8,11,13,16-18,21H,1,5,9-10,12H2,2-4H3/b7-6+/t16?,17-,18?,20?/m0/s1
(5)Std. InChIKey: RHCBUXSXDFNUAG-ULNDCYAMSA-N