CAS No.130855-22-0,Ent-kaurane-3,16,17-triol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	130855-22-0
Name:	Ent-kaurane-3,16,17-triol
Article Data:	3

Formula:	C₂₀H₃₄O₃
Molecular Weight:	322.4822
Synonyms:	ent-kaurane-3,16,17-triol
Density:	1.15g/cm³
Boiling Point:	461.6 °C at 760 mmHg
Flash Point:	207.1 °C
PSA:	60.69000
LogP:	3.11340

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Specification

The Ent-kaurane-3,16,17-triol, with CAS registry number 130855-22-0, has the systematic name of (3α,5β,9β,10α,13α,16β)-kaurane-3,16,17-triol. Besides this, it is also called Kaurane-3,16,17-triol. And the chemical formula of this chemical is C₂₀H₃₄O₃.

Physical properties of Ent-kaurane-3,16,17-triol: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.34; (4)ACD/LogD (pH 7.4): 3.34; (5)ACD/BCF (pH 5.5): 203.24; (6)ACD/BCF (pH 7.4): 203.24; (7)ACD/KOC (pH 5.5): 1562; (8)ACD/KOC (pH 7.4): 1562; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 91.03 cm³; (15)Molar Volume: 278.6 cm³; (16)Polarizability: 36.08×10^-24cm³; (17)Surface Tension: 50 dyne/cm; (18)Density: 1.15 g/cm³; (19)Flash Point: 207.1 °C; (20)Enthalpy of Vaporization: 83.33 kJ/mol; (21)Boiling Point: 461.6 °C at 760 mmHg; (22)Vapour Pressure: 1.84E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]4CC[C@]3([C@H]2C1(C[C@@H]([C@](O)(C1)CO)CC2)CC[C@@H]3C4(C)C)C
(2)InChI: InChI=1/C20H34O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h13-16,21-23H,4-12H2,1-3H3/t13-,14+,15-,16+,18+,19?,20-/m0/s1
(3)InChIKey: JRMZVZSBORMZSD-ZRRPMYOLBQ
(4)Std. InChI: InChI=1S/C20H34O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h13-16,21-23H,4-12H2,1-3H3/t13-,14+,15-,16+,18+,19?,20-/m0/s1
(5)Std. InChIKey: JRMZVZSBORMZSD-ZRRPMYOLSA-N