Benzoyltaxol
[CAS# 156481-34-4]

Identification

• Name: Benzoyltaxol
• Synonyms: Benzoyltaxol
• Molecular Formula: C₅₄H₅₅NO₁₅
• Molecular Weight: 958.03
• CAS Registry Number: 156481-34-4
• SMILES: [C@@H]26[C@@]1(OC(=O)C)[C@H](OC1)C[C@H](O)[C@]2(C(=O)[C@H](OC(=O)C)C8=C([C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5)C[C@@](O)([C@H]6OC(=O)C7=CC=CC=C7)C8(C)C)C)C
• InChI: 1S/C54H55NO15/c1-29-37(68-50(64)43(60)41(32-16-10-7-11-17-32)55-48(62)35-24-22-34(23-25-35)42(59)33-18-12-8-13-19-33)27-54(65)47(69-49(63)36-20-14-9-15-21-36)45-52(6,38(58)26-39-53(45,28-66-39)70-31(3)57)46(61)44(67-30(2)56)40(29)51(54,4)5/h7-25,37-39,41,43-45,47,58,60,65H,26-28H2,1-6H3,(H,55,62)/t37-,38-,39+,41-,43+,44+,45-,47-,52+,53-,54+/m0/s1
• InChIKey: ULRXXOPTBNYPKA-VFTBNVCNSA-N

Properties

• Density: 1.408g/cm³ (Cal.)
• Boiling point: 1032.234°C at 760 mmHg (Cal.)
• Flash point: 578.074°C (Cal.)