CAS: 1361-49-5 - Benzenepropanoic acid, β-(dimethylamino)-α-hydroxy-, (1S,2R,3E,5S,7S,8S,10R,13S)-2,13-bis(acetyloxy)-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxotricyclo[9.3.1.14,8]hexadeca-3,11-dien-5-yl ester, (αR,βS)-

Formula:C₃₅H₄₇NO₁₀

InChI:InChI=1S/C35H47NO10/c1-18-24(44-19(2)37)15-23-26(45-20(3)38)14-22-17-35(6,32(42)30(40)28(18)34(23,4)5)27(39)16-25(22)46-33(43)31(41)29(36(7)8)21-12-10-9-11-13-21/h9-14,23-27,29-31,39-41H,15-17H2,1-8H3/b22-14+/t23-,24-,25-,26-,27-,29-,30+,31+,35-/m0/s1

InChI key:InChIKey=KOTXAHKUCAQPQA-MCBQMXOVSA-N

SMILES:O=C(OC1C=C2CC(C(=O)C(O)C3=C(C)C(OC(=O)C)CC1C3(C)C)(C)C(O)CC2OC(=O)C(O)C(C=4C=CC=CC4)N(C)C)C

Synonyms:
Tricyclo[9.3.1.14,8]hexadecane, benzenepropanoic acid deriv.
Taxin A
Benzenepropanoic acid, β-(dimethylamino)-α-hydroxy-, 2,13-bis(acetyloxy)-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxotricyclo[9.3.1.14,8]hexadeca-3,11-dien-5-yl ester, [1S-[1R*,2S*,3E,5R*(αS*,βR*),7R*,8R*,10S*,13R*]]-
Benzenepropanoic acid, β-(dimethylamino)-α-hydroxy-, (1S,2R,3E,5S,7S,8S,10R,13S)-2,13-bis(acetyloxy)-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxotricyclo[9.3.1.14,8]hexadeca-3,11-dien-5-yl ester, (αR,βS)-
Taxine A