化学式

CAS号

IUPAC Name

[(1S,2S,3S,4S,7R,9S,10S,13R,16R,17S)-4-乙酰氧基-9,13-二羟基-16-[(2R,3S)-2-羟基-3-[(2-甲基-2-基)oxycarbonylamino]-3-phenylpropanoyl]氧基-10,15,21,21-四甲基-19-氧代-6,11,18,20-tetraoxapentacyclo[12.6.1.01,17.03,10.04,7]henicos-14-烯-2-基]苯甲酸 [(1S,2S,3S,4S,7R,9S,10S,13R,16R,17S)-4-acetyloxy-9,13-dihydroxy-16-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,15,21,21-tetramethyl-19-oxo-6,11,18,20-tetraoxapentacyclo[12.6.1.01,17.03,10.04,7]henicos-14-en-2-yl] benzoate

InChI

InChI=1S/C44H53NO16/c1-22-29-26(47)20-55-42(8)27(48)19-28-43(21-54-28,59-23(2)46)33(42)35(57-36(50)25-17-13-10-14-18-25)44(41(29,6)7)34(58-39(53)61-44)32(22)56-37(51)31(49)30(24-15-11-9-12-16-24)45-38(52)60-40(3,4)5/h9-18,26-28,30-35,47-49H,19-21H2,1-8H3,(H,45,52)/t26-,27-,28+,30-,31+,32+,33-,34-,35-,42+,43-,44+/m0/s1

InChI Key

YJWLPBWGAPYUGN-QTBCDBRWSA-N

Canonical SMILES

CC1=C2C(COC3(C(CC4C(C3C(C5(C2(C)C)C(C1OC(=O)C(C(C6=CC=CC=C6)NC(=O)OC(C)(C)C)O)OC(=O)O5)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)O

别名

• SCHEMBL12674429