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7,13-Bis-O-(triethylsilyl)-10-deacetyl Baccatin III , CAS No.183133-99-5
Names and Identifiers
IUPAC Name | [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9,15-bis(triethylsilyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate |
INCHI | InChI=1S/C41H64O10Si2/c1-12-52(13-2,14-3)50-29-24-41(46)36(48-37(45)28-21-19-18-20-22-28)34-39(11,35(44)33(43)32(26(29)7)38(41,9)10)30(51-53(15-4,16-5)17-6)23-31-40(34,25-47-31)49-27(8)42/h18-22,29-31,33-34,36,43,46H,12-17,23-25H2,1-11H3/t29-,30-,31+,33+,34-,36-,39+,40-,41+/m0/s1 |
InChi Key | BUIVYZUATKNANR-RHJDUELYSA-N |
Canonical SMILES | CC[Si](CC)(CC)OC1CC2C(CO2)(C3C1(C(=O)C(C4=C(C(CC(C3OC(=O)C5=CC=CC=C5)(C4(C)C)O)O[Si](CC)(CC)CC)C)O)C)OC(=O)C |
Isomeric SMILES | CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)C5=CC=CC=C5)(C4(C)C)O)O[Si](CC)(CC)CC)C)O)C)OC(=O)C |
PubChem CID | 11007223 |
Molecular Weight | 773.11 |
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