Taxusin
[CAS# 19605-80-2]

Identification

• Name: Taxusin
• Synonyms: Smr000445558; 6,10-Methanobenzocyclodecene-3,8,11,12-Tetrol, 1,2,3,4,4A,5,6,7,8,11,12,12A-Dodecahydro-9,12A,13,13-Tetramethyl-4-Methylene-, Tetraacetate, (4As-(4Aalpha,6Alpha,9Beta,12Abeta))-
• Molecular Formula: C₂₈H₄₀O₈
• Molecular Weight: 504.62
• CAS Registry Number: 19605-80-2
• SMILES: [C@@]23([C@H]([C@@H](C1=C([C@H](C[C@H](C1(C)C)C[C@@H]2C(=C)[C@H](CC3)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C)C
• InChI: 1S/C28H40O8/c1-14-21-12-20-13-23(34-17(4)30)15(2)24(27(20,7)8)25(35-18(5)31)26(36-19(6)32)28(21,9)11-10-22(14)33-16(3)29/h20-23,25-26H,1,10-13H2,2-9H3/t20-,21-,22+,23+,25-,26+,28-/m1/s1
• InChIKey: SKJSIVQEPKBFTJ-HUWILPJBSA-N

Properties

• Density: 1.161g/cm³ (Cal.)
• Boiling point: 537.259°C at 760 mmHg (Cal.)
• Flash point: 224.364°C (Cal.)

References

• (1): Jennifer Guerra-Bubb, Rodney Croteau and Robert M. Williams. The early stages of taxol biosynthesis: An interim report on the synthesis and identification of early pathway metabolites, Nat. Prod. Rep., 2012, 29, 683.