化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,10S,11S,13R,16R,17S)-4-乙酰氧基-10,13-二羟基-16-[(2R,3S,5Z,7Z)-2-羟基-4-亚甲基-3-[(2-甲基-2-基)oxycarbonylamino]nona-5,7-dienoyl]氧基-11,15,21,21-四甲基-12,19-二氧代-6,18,20-trioxapentacyclo[12.6.1.01,17.03,11.04,7]henicos-14-烯-2-基]苯甲酸 [(1S,2S,3R,4S,7R,10S,11S,13R,16R,17S)-4-acetyloxy-10,13-dihydroxy-16-[(2R,3S,5Z,7Z)-2-hydroxy-4-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]nona-5,7-dienoyl]oxy-11,15,21,21-tetramethyl-12,19-dioxo-6,18,20-trioxapentacyclo[12.6.1.01,17.03,11.04,7]henicos-14-en-2-yl] benzoate

InChI

InChI=1S/C46H57NO16/c1-11-12-14-17-23(2)30(47-40(55)62-42(5,6)7)32(51)39(54)58-33-24(3)29-31(50)35(52)44(10)27(49)20-21-28-45(22-57-28,61-25(4)48)34(44)37(59-38(53)26-18-15-13-16-19-26)46(43(29,8)9)36(33)60-41(56)63-46/h11-19,27-28,30-34,36-37,49-51H,2,20-22H2,1,3-10H3,(H,47,55)/b12-11-,17-14-/t27-,28+,30-,31+,32+,33+,34-,36-,37-,44+,45-,46+/m0/s1

InChI Key

BJBTYLVLIZAAIJ-KSSGFPDTSA-N

Canonical SMILES

CC=CC=CC(=C)C(C(C(=O)OC1C2C3(C(C4C(C(CCC5C4(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)NC(=O)OC(C)(C)C

别名