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-5-甲基-4-enoyl]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-5-methylhex-4-enoyl]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/C43H55NO15/c1-9-10-12-17-28(47)44-25(18-21(2)3)30(48)38(52)55-32-22(4)29-31(49)34(50)41(8)26(46)19-27-42(20-54-27,58-23(5)45)33(41)36(56-37(51)24-15-13-11-14-16-24)43(40(29,6)7)35(32)57-39(53)59-43/h11,13-16,18,25-27,30-33,35-36,46,48-49H,9-10,12,17,19-20H2,1-8H3,(H,44,47)/t25-,26-,27+,30+,31+,32+,33-,35-,36-,41+,42-,43+/m0/s1

InChI Key

WTZUCKLLXUNODN-OCVDXBNBSA-N

Canonical SMILES

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

别名

• (2R,3S)-3-(Hexanoylamino)-2-hydroxy-5-methyl-4-hexenoic 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