化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-乙酰氧基-15-[(2R,3S)-3-(hexanoylamino)-2-羟基-3-phenylpropanoyl]氧基-9,12-二羟基-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-烯-2-基]苯甲酸 [(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-acetyloxy-15-[(2R,3S)-3-(hexanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-9,12-dihydroxy-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/C45H53NO15/c1-7-8-11-20-29(49)46-31(25-16-12-9-13-17-25)33(51)40(54)57-34-23(2)30-32(50)36(52)43(6)27(48)21-28-44(22-56-28,60-24(3)47)35(43)38(58-39(53)26-18-14-10-15-19-26)45(42(30,4)5)37(34)59-41(55)61-45/h9-10,12-19,27-28,31-35,37-38,48,50-51H,7-8,11,20-22H2,1-6H3,(H,46,49)/t27-,28+,31-,32+,33+,34+,35-,37-,38-,43+,44-,45+/m0/s1

InChI Key

XZSIWTREAOMXOD-KEKABDDCSA-N

Canonical SMILES

CCCCCC(=O)NC(C1=CC=CC=C1)C(C(=O)OC2C3C4(C(C5C(C(CC6C5(CO6)OC(=O)C)O)(C(=O)C(C(=C2C)C4(C)C)O)C)OC(=O)C7=CC=CC=C7)OC(=O)O3)O

别名

• (2R,3S)-3-(Hexanoylamino)-2-hydroxy-3-phenylpropionic acid [(2aR,11S)-12bbeta-(acetyloxy)-12beta-benzoyloxy-2abeta,3,4,4a,5,6,9,10,11,12,12abeta,12b-dodecahydro-4alpha,6alpha-dihydroxy-4aalpha,8,13,13-tetramethyl-5-oxo-10alpha,11-(carbonylbisoxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet]-9beta-yl ester