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Panaxadiol

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Name

Panaxadiol

EINECS N/A
CAS No. 19666-76-3 Density 1.025 g/cm3
PSA 49.69000 LogP 6.74100
Solubility N/A Melting Point 250℃
Formula C30H52O3 Boiling Point 531.3 °C at 760 mmHg
Molecular Weight 460.741 Flash Point 275.1 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 19666-76-3 (Panaxadiol) Hazard Symbols N/A
Synonyms

Dammarane-3b,12b-diol, 20,25-epoxy-, (20R)- (8CI);Panaxadiol (7CI);NSC 308879;

Article Data 4

Panaxadiol Specification

The Panaxadiol, with CAS registry number 19666-76-3, belongs to the following product categories: (1)Steroids; (2)Ginseng series. It has the systematic name of (3beta,12beta,20R)-20,25-epoxydammarane-3,12-diol. And the chemical formula of this chemical is C30H52O3. The main use of this chemical is the regulating action on the nervous system of the body, endocrine and circulatory system.

Physical properties of Panaxadiol: (1)ACD/LogP: 7.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.64; (4)ACD/LogD (pH 7.4): 7.64; (5)ACD/BCF (pH 5.5): 378354.56; (6)ACD/BCF (pH 7.4): 378354.56; (7)ACD/KOC (pH 5.5): 342162.66; (8)ACD/KOC (pH 7.4): 342162.66; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 135.52 cm3; (15)Molar Volume: 449.2 cm3; (16)Polarizability: 53.72×10-24cm3; (17)Surface Tension: 39.7 dyne/cm; (18)Density: 1.025 g/cm3; (19)Flash Point: 275.1 °C; (20)Enthalpy of Vaporization: 92.81 kJ/mol; (21)Boiling Point: 531.3 °C at 760 mmHg; (22)Vapour Pressure: 1.65E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]3C[C@@H]1[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]1(C)[C@]4(C)CC[C@H]([C@@]2(OC(C)(C)CCC2)C)[C@@H]34
(2)InChI: InChI=1/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1
(3)InChIKey: PVLHOJXLNBFHDX-XHJPDDKBBI
(4)Std. InChI: InChI=1S/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1
(5)Std. InChIKey: PVLHOJXLNBFHDX-XHJPDDKBSA-N

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