6,3'-p-Dihydroxypaclitaxel
[CAS# 157230-10-9]

Identification

• Name: 6,3'-p-Dihydroxypaclitaxel
• Synonyms: Benzenepropanoic Acid, Beta-(Benzoylamino)-Alpha,4-Dihydroxy-, 6,12B-Bis(Acetyloxy)-12-(Benzoyloxy)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-Dodecahydro-3,4,11-Trihydroxy-4A,8,13,13-Tetramethyl-5-Oxo-7,11-Methano-1H-Cyclodeca(3,4)Benz(1,2-B)Oxet-9-Yl Ester, (2Ar-(2Aalpha,3Alpha,4Beta,4Abeta,6Beta,
• Molecular Formula: C₄₇H₅₁NO₁₆
• Molecular Weight: 885.92
• CAS Registry Number: 157230-10-9
• SMILES: [C@@H]25[C@@]1(OC(=O)C)[C@H](OC1)[C@@H](O)[C@H](O)[C@]2(C(=O)[C@H](OC(=O)C)C7=C([C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)C3=CC=CC=C3)C4=CC=C(O)C=C4)C[C@@](O)([C@H]5OC(=O)C6=CC=CC=C6)C7(C)C)C)C
• InChI: 1S/C47H51NO16/c1-23-30(62-43(58)33(52)32(26-17-19-29(51)20-18-26)48-41(56)27-13-9-7-10-14-27)21-47(59)40(63-42(57)28-15-11-8-12-16-28)36-45(6,38(55)35(61-24(2)49)31(23)44(47,4)5)37(54)34(53)39-46(36,22-60-39)64-25(3)50/h7-20,30,32-37,39-40,51-54,59H,21-22H2,1-6H3,(H,48,56)/t30-,32-,33+,34-,35+,36-,37-,39+,40-,45-,46+,47+/m0/s1
• InChIKey: NEGGNAWLXHJUEM-FJMWQILYSA-N

Properties

• Density: 1.464g/cm³ (Cal.)
• Boiling point: 1011.242°C at 760 mmHg (Cal.)
• Flash point: 565.379°C (Cal.)