化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12,15-triacetyloxy-10,14,20,20-四甲基-11,18-二氧代-2-苄氧基-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-烯-9-基]5-(4-苯甲酰基苯基)戊酸 [(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12,15-triacetyloxy-10,14,20,20-tetramethyl-11,18-dioxo-2-phenylmethoxy-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-9-yl] 5-(4-benzoylphenyl)pentanoate

InChI

InChI=1S/C52H56O15/c1-29-40-43(63-31(3)54)45(58)50(7)37(64-39(56)21-15-14-16-33-22-24-36(25-23-33)41(57)35-19-12-9-13-20-35)26-38-51(28-61-38,66-32(4)55)44(50)47(60-27-34-17-10-8-11-18-34)52(49(40,5)6)46(65-48(59)67-52)42(29)62-30(2)53/h8-13,17-20,22-25,37-38,42-44,46-47H,14-16,21,26-28H2,1-7H3/t37-,38+,42+,43+,44-,46-,47-,50+,51-,52+/m0/s1

InChI Key

JMQRRBIZTLXZIM-NXEKEJRWSA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C(C5(C2(C)C)C(C1OC(=O)C)OC(=O)O5)OCC6=CC=CC=C6)(CO4)OC(=O)C)OC(=O)CCCCC7=CC=C(C=C7)C(=O)C8=CC=CC=C8)C)OC(=O)C

别名

• CHEMBL218676