The chemical with CAS registry number of 158830-50-3 is known as Δ6,7-Baccatin III. The formula is C₃₁H₃₆O₁₀ and the molecular weight is 568.61. In addition, this chemical is a off-white solid which is soluble in chloroform, dichloromethane, DMSO, ethyl acetate and methanol. What's more, it is used as intermediate used in the preparation of pacitaxel derivatives.

Physical properties about Δ6,7-Baccatin III are: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 1.307; (4)ACD/LogD (pH 7.4): 1.307; (5)ACD/BCF (pH 5.5): 5.801; (6)ACD/BCF (pH 7.4): 5.801; (7)ACD/KOC (pH 5.5): 122.5; (8)ACD/KOC (pH 7.4): 122.499; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 144.134 cm³; (14)Molar Volume: 418.67 cm³; (15)Surface Tension: 60.199 dyne/cm; (16)Density: 1.358 g/cm³; (17)Flash Point: 215.01 °C; (18)Enthalpy of Vaporization: 104.393 kJ/mol; (19)Boiling Point: 676.959 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
1. SMILES: CC1=C2[C@H](C(=O)[C@@]3(C=C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)C)OC(=O)C
2. InChI: InChI=1/C31H36O10/c1-16-20(34)14-31(37)26(40-27(36)19-10-8-7-9-11-19)24-29(6,13-12-21-30(24,15-38-21)41-18(3)33)25(35)23(39-17(2)32)22(16)28(31,4)5/h7-13,20-21,23-24,26,34,37H,14-15H2,1-6H3/t20-,21+,23+,24?,26-,29+,30-,31+/m0/s1
3. InChIKey: GKORGTAVTDVIOM-ZSFIGDEXBC
4. Std. InChI: InChI=1S/C31H36O10/c1-16-20(34)14-31(37)26(40-27(36)19-10-8-7-9-11-19)24-29(6,13-12-21-30(24,15-38-21)41-18(3)33)25(35)23(39-17(2)32)22(16)28(31,4)5/h7-13,20-21,23-24,26,34,37H,14-15H2,1-6H3/t20-,21+,23+,24?,26-,29+,30-,31+/m0/s1
5. Std. InChIKey: GKORGTAVTDVIOM-ZSFIGDEXSA-N