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3-Oxours-12-en-28-oic acid (6246-46-4)

Identification
Name:3-Oxours-12-en-28-oic acid
Synonyms:urs-12-en-28-oic acid, 3-oxo-;Ursonic acid;
CAS:6246-46-4
Molecular Formula: C30H46O3
Molecular Weight: 454.68
InChI: InChI=1/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1
Molecular Structure: (C30H46O3) urs-12-en-28-oic acid, 3-oxo-;Ursonic acid;
Properties
Density:1.097 g/cm3
Refractive index:1.55
Specification:

The 3-Oxours-12-en-28-oic acid with the cas number 6246-46-4, is also called Ursonic acid .The properties of the chemical are: (1)#H bond acceptors:  3  ; (2)#H bond donors:  1  ; (3)#Freely Rotating Bonds:  1  ; (4)Polar Surface Area:  54.37Å2  ; (5)Index of Refraction:  1.55  ; (6)Molar Refractivity:  132.125 cm3  ; (7)Molar Volume:  414.651 cm3  ; (8)Polarizability:  52.378×10-24cm3  ; (9)Surface Tension:  43.831 dyne/cm  ; (10)Enthalpy of Vaporization:  91.433 kJ/mol   ; (11)Vapour Pressure:  0 mmHg at 25°C .

The 3-Oxours-12-en-28-oic acid can be supplied by the following suppliers: (1)Feihe PharmaTech ; (2)Nanjing Daxian Chemical Institute Ltd.; (3)Link Chemicals Co.,Ltd.; (4)Hangzhou Sunny Chemical Co., Ltd.; (5)Nanjing Chemlin Chemical Co., Ltd.; (6)Nanjing Feihe Pharma Tech Co., Ltd..

You can still convert the following datas into molecular structure :
1.O=C(O)[C@@]54[C@H](/C3=C/C[C@H]2[C@](CC[C@H]1C(C(=O)CC[C@@]12C)(C)C)(C)[C@]3(C)CC4)[C@@H](C)[C@H](C)CC5
2.InChI=1/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1

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