9-Dihydrotaxol
[CAS# 148584-53-6]

Identification

• Name: 9-Dihydrotaxol
• Synonyms: 9(R)-Dihydrotaxol; 9-Dihydrotaxol; Benzenepropanoic Acid, Beta-(Benzoylamino)-Alpha-Hydroxy-, 6,12B-Bis(Acetyloxy)-12-(Benzoyloxy)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-Dodecahydro-4,5,11-Trihydroxy-4A,8,13,13-Tetramethyl-7,11-Methano-1H-Cyclodeca(3,4)Benz(1,2-B)Oxet-9-Yl Ester, (2Ar-(2Aalpha,4Beta,4Abeta,5Alpha,6Beta,9Alpha(Alphar*,Betas*),11Alpha,12Alpha,12Aalpha,12Balpha))-
• Molecular Formula: C₄₇H₅₃NO₁₄
• Molecular Weight: 855.93
• CAS Registry Number: 148584-53-6
• SMILES: [C@@]23([C@@H]([C@@]1(CO[C@@H]1C[C@@H]2O)OC(=O)C)[C@@H]([C@@]4(C[C@@H](C(=C([C@H]([C@@H]3O)OC(=O)C)C4(C)C)C)OC([C@@H]([C@@H](NC(=O)C5=CC=CC=C5)C6=CC=CC=C6)O)=O)O)OC(=O)C7=CC=CC=C7)C
• InChI: 1S/C47H53NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-40,51-53,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,39-,40-,45+,46-,47+/m0/s1
• InChIKey: RIYRAFARMCGSSW-UWNPAEFKSA-N

Properties

• Density: 1.399g/cm³ (Cal.)
• Boiling point: 957.247°C at 760 mmHg (Cal.)
• Flash point: 532.724°C (Cal.)