化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-乙酰氧基-9,12-二羟基-15-[2-羟基-5-甲基-3-[(2-甲基-2-基)oxycarbonylamino]hexanoyl]氧基-10,14,20,20-四甲基-11,18-二氧代-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-烯-2-基]苯甲酸 [(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-acetyloxy-9,12-dihydroxy-15-[2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-10,14,20,20-tetramethyl-11,18-dioxo-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate

InChI

InChI=1S/C42H55NO16/c1-19(2)16-23(43-36(51)58-38(5,6)7)27(46)35(50)54-29-20(3)26-28(47)31(48)40(10)24(45)17-25-41(18-53-25,57-21(4)44)30(40)33(55-34(49)22-14-12-11-13-15-22)42(39(26,8)9)32(29)56-37(52)59-42/h11-15,19,23-25,27-30,32-33,45-47H,16-18H2,1-10H3,(H,43,51)/t23?,24-,25+,27?,28+,29+,30-,32-,33-,40+,41-,42+/m0/s1

InChI Key

RMKDOOVLFXORQT-SMFOLXNFSA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C(C5(C2(C)C)C(C1OC(=O)C(C(CC(C)C)NC(=O)OC(C)(C)C)O)OC(=O)O5)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O

别名

• (1S)-4alpha-Acetoxy-2alpha-(benzoyloxy)-5beta,20-epoxy-7beta,10beta-dihydroxy-13alpha-[N-(tert-butoxycarbonyl)-3-isobutyl-2-hydroxy-beta-alanyloxy]-1,14beta-(carbonyldioxy)taxa-11-ene-9-one