化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-二乙酰-15-[(2R,3S)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]氧基-5-甲基-3-[(2-甲基-2-基)oxycarbonylamino]hexanoyl]氧基-9-羟基-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 [(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-diacetyloxy-15-[(2R,3S)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9-hydroxy-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/C66H87NO18/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34-37-49(71)79-52(46(38-41(2)3)67-60(75)84-62(7,8)9)59(74)80-51-42(4)50-53(78-43(5)68)55(72)64(12)47(70)39-48-65(40-77-48,83-44(6)69)54(64)57(81-58(73)45-35-32-31-33-36-45)66(63(50,10)11)56(51)82-61(76)85-66/h14-15,17-18,20-21,23-24,26-27,29-33,35-36,41,46-48,51-54,56-57,70H,13,16,19,22,25,28,34,37-40H2,1-12H3,(H,67,75)/b15-14-,18-17-,21-20-,24-23-,27-26-,30-29-/t46-,47-,48+,51+,52+,53+,54-,56-,57-,64+,65-,66+/m0/s1

InChI Key

SGEVICCLXQLIDZ-DPUSWXNPSA-N

Canonical SMILES

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC(C(CC(C)C)NC(=O)OC(C)(C)C)C(=O)OC1C2C3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C1C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)OC(=O)O2

别名