Kaur-16-en-18-oic acid,13-hydroxy-, (4a)-

The systematic name of Kaur-16-en-18-oic acid,13-hydroxy-, (4alpha)- is (5β,8α,9β,10α,13α)-13-hydroxykaur-16-en-18-oic acid. With the CAS registry number 471-80-7, it is also named as (14-alpha)-13-Hydroxykaur-16-en-18-oic acid. The product's category is Natural Plant Extract. Besides, it is aglucon of stevioside, which should be stored at 2-8 °C. This chemical is heat-stable, pH-stable, and do not ferment. In addition, its molecular formula is C₂₀H₃₀O₃ and molecular weight is 318.45. It is used for producing sweetener.

The other characteristics of Kaur-16-en-18-oic acid,13-hydroxy-, (4alpha)- can be summarized as: (1)ACD/LogP: 4.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.52; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 167.85; (6)ACD/BCF (pH 7.4): 2.64; (7)ACD/KOC (pH 5.5): 746.14; (8)ACD/KOC (pH 7.4): 11.74; (9)H bond acceptors: 3; (10)H bond donors: 2; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 89.19 cm³; (15)Molar Volume: 272.1 cm³; (16)Polarizability: 35.36×10^-24cm³; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.17 g/cm³; (19)Flash Point: 248.8 °C; (20)Enthalpy of Vaporization: 83.71 kJ/mol; (21)Boiling Point: 464.5 °C at 760 mmHg; (22)Vapour Pressure: 1.4E-10 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)[C@]4([C@H]3CC[C@@]21C[C@](O)(\C(=C)C1)CC[C@H]2[C@]3(C)CCC4)C
(2)InChI:InChI=1/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m0/s1
(3)InChIKey:QFVOYBUQQBFCRH-VQSWZGCSBR
(4)Std. InChI:InChI=1S/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m0/s1
(5)Std. InChIKey:QFVOYBUQQBFCRH-VQSWZGCSSA-N