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14β-Hydroxy-7-O-(triethylsilyl)-13-oxo Baccatin III , CAS No.370110-84-2
Names and Identifiers
IUPAC Name | [(1R,2S,3R,4S,7R,9S,10S,12R,16R)-4,12-diacetyloxy-1,16-dihydroxy-10,14,17,17-tetramethyl-11,15-dioxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate |
INCHI | InChI=1S/C37H50O12Si/c1-10-50(11-2,12-3)49-24-18-25-36(19-45-25,48-22(6)39)29-32(47-33(43)23-16-14-13-15-17-23)37(44)30(41)27(40)20(4)26(34(37,7)8)28(46-21(5)38)31(42)35(24,29)9/h13-17,24-25,28-30,32,41,44H,10-12,18-19H2,1-9H3/t24-,25+,28+,29-,30-,32-,35+,36-,37+/m0/s1 |
InChi Key | OWYICONKDDFJMF-KRVNPZJJSA-N |
Canonical SMILES | CC[Si](CC)(CC)OC1CC2C(CO2)(C3C1(C(=O)C(C4=C(C(=O)C(C(C3OC(=O)C5=CC=CC=C5)(C4(C)C)O)O)C)OC(=O)C)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(=O)[C@@H]([C@@]([C@H]3OC(=O)C5=CC=CC=C5)(C4(C)C)O)O)C)OC(=O)C)C)OC(=O)C |
PubChem CID | 10169095 |
Molecular Weight | 714.87 |
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