CAS No.7372-30-7,Ursolic acid acetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7372-30-7
Name:	Ursolic acid acetate
Article Data:	94

Formula:	C₃₂H₅₀O₄
Molecular Weight:	498.74
Synonyms:	Urs-12-en-28-oic acid, 3-(acetyloxy)-, (3beta)-;(1S,2R,4aS,6aS,6aS,6bR,8aS,10S,12aS,14bR)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid;Acetylursolic acid;(1S,2R,6aS,6aS,6bR,8aS,12aS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid;Acetyl ursolic acid;
Density:	1.09 g/cm³
Boiling Point:	567.6 °C at 760 mmHg
Flash Point:	171.7 °C
PSA:	63.60000
LogP:	7.66030

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Specification

The IUPAC name of Ursolic acid acetate is (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid. With the CAS registry number 7372-30-7, it is also named as (3beta)-3-(Acetyloxy)-urs-12-en-28-oic acid. The product's categories are pentacyclic triterpenes and miscellaneous natural products. In addition, its molecular formula is C₃₂H₅₀O₄ and its molecular weight is 498.74.

The other characteristics of Ursolic acid acetate can be summarized as: (1)ACD/LogP: 9.91; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.02; (4)ACD/LogD (pH 7.4): 7.22; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 40609.91; (7)ACD/KOC (pH 5.5): 754423.94; (8)ACD/KOC (pH 7.4): 11908.28; (9)H bond acceptors: 4; (10)H bond donors: 1; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 143.1 cm³; (15)Molar Volume: 453.4 cm³; (16)Polarizability: 56.73×10^-24cm³; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 171.7 °C; (20)Enthalpy of Vaporization: 93.12 kJ/mol; (21)Boiling Point: 567.6 °C at 760 mmHg; (22)Vapour Pressure: 2.3E-14 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)[C@@]54[C@H](/C3=C/C[C@H]1[C@](CC[C@@H]2[C@]1(C)CC[C@H](OC(=O)C)C2(C)C)(C)[C@]3(C)CC4)[C@@H](C)[C@H](C)CC5
(2)InChI:InChI=1/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1