化学式

CAS号

IUPAC Name

[(1S,2S,4S,9S,10S,12R,15R,16S)-4-乙酰氧基-12-[(E)-丁-2-enoyl]氧基-9-羟基-10,14,20,20-四甲基-11,18-二氧代-2-苯氧基-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-烯-15-基](2R,3S)-3-(hexanoylamino)-2-羟基-5-甲基-4-烯酸酯 [(1S,2S,4S,9S,10S,12R,15R,16S)-4-acetyloxy-12-[(E)-but-2-enoyl]oxy-9-hydroxy-10,14,20,20-tetramethyl-11,18-dioxo-2-phenoxy-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-15-yl] (2R,3S)-3-(hexanoylamino)-2-hydroxy-5-methylhex-4-enoate

InChI

InChI=1S/C46H59NO15/c1-10-12-14-20-31(50)47-28(21-24(3)4)34(52)41(54)59-35-25(5)33-36(58-32(51)17-11-2)38(53)44(9)29(49)22-30-45(23-56-30,61-26(6)48)37(44)40(57-27-18-15-13-16-19-27)46(43(33,7)8)39(35)60-42(55)62-46/h11,13,15-19,21,28-30,34-37,39-40,49,52H,10,12,14,20,22-23H2,1-9H3,(H,47,50)/b17-11+/t28-,29-,30?,34+,35+,36+,37?,39-,40-,44+,45-,46+/m0/s1

InChI Key

SQBZQSFWYOLCJE-VZEORZCFSA-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)OC(=O)C=CC)C)OC6=CC=CC=C6)OC(=O)O2)O

别名

• CHEMBL328313