3'-P-Hydroxypaclitaxel
[CAS# 132160-32-8]

Identification

• Name: 3'-P-Hydroxypaclitaxel
• 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-4,11-Dihydroxy-4A,8,13,13-Tetramethyl-4-Oxo-7,11-Methano-1H-Cyclodeca(3,4)Benz(1,2-B)Oxet-9-Yl Ester, (2Ar-(2Aalpha,4Beta,4Abeta,6Beta,9Alpha(Alp
• Molecular Formula: C₄₇H₅₁NO₁₅
• Molecular Weight: 869.92
• CAS Registry Number: 132160-32-8
• SMILES: [C@@H]25[C@@]1(OC(=O)C)[C@H](OC1)C[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/C47H51NO15/c1-24-31(61-43(57)36(53)35(27-17-19-30(51)20-18-27)48-41(55)28-13-9-7-10-14-28)22-47(58)40(62-42(56)29-15-11-8-12-16-29)38-45(6,32(52)21-33-46(38,23-59-33)63-26(3)50)39(54)37(60-25(2)49)34(24)44(47,4)5/h7-20,31-33,35-38,40,51-53,58H,21-23H2,1-6H3,(H,48,55)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
• InChIKey: XKSMHFPSILYEIA-MZXODVADSA-N

Properties

• Density: 1.433g/cm³ (Cal.)
• Boiling point: 988.206°C at 760 mmHg (Cal.)
• Flash point: 551.447°C (Cal.)