Description
Taxumairol B is extracted from the seeds of Taxus yunnanensis.
Synonyms
1-Hydroxy-7,9-dideacetylbaccatin I; 2,5,10,13-Tetraacetoxy-1,7,9-trihydroxy-4,20-epoxytax-11-ene
IUPAC Name
[(1'S,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',10',13'-triacetyloxy-1',7',9'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl] acetate
Molecular Formula
C28H40O12
Canonical SMILES
CC1=C2C(C(C3(C(CC(C4(C3C(C(C2(C)C)(CC1OC(=O)C)O)OC(=O)C)CO4)OC(=O)C)O)C)O)OC(=O)C
InChI
InChI=1S/C28H40O12/c1-12-17(37-13(2)29)10-28(35)24(40-16(5)32)22-26(8,18(33)9-19(38-14(3)30)27(22)11-36-27)23(34)21(39-15(4)31)20(12)25(28,6)7/h17-19,21-24,33-35H,9-11H2,1-8H3/t17-,18-,19-,21+,22-,23-,24-,26+,27+,28+/m0/s1
InChIKey
WJMBBODKITXTJA-HIRGMTDPSA-N