化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-二乙酰-9-[[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-二乙酰-2-苯甲酰基氧基-15-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-9-基]oxycarbonyloxy]-15-羟基-10,14,20,20-四甲基-11,18-二氧代-6,17,19- [(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-diacetyloxy-9-[[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-diacetyloxy-2-benzoyloxy-15-hydroxy-10,14,20,20-tetramethyl-11,18-dioxo-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-9-yl]oxycarbonyloxy]-15-hydroxy-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/C65H70O27/c1-27-39-43(81-29(3)66)47(72)60(11)35(23-37-62(25-79-37,89-31(5)68)45(60)51(85-53(74)33-19-15-13-16-20-33)64(58(39,7)8)49(41(27)70)87-56(77)91-64)83-55(76)84-36-24-38-63(26-80-38,90-32(6)69)46-52(86-54(75)34-21-17-14-18-22-34)65-50(88-57(78)92-65)42(71)28(2)40(59(65,9)10)44(82-30(4)67)48(73)61(36,46)12/h13-22,35-38,41-46,49-52,70-71H,23-26H2,1-12H3/t35-,36-,37+,38+,41+,42+,43+,44+,45-,46-,49-,50-,51-,52-,60+,61+,62-,63-,64+,65+/m0/s1

InChI Key

SAFPMKMPIXUXSW-AZALWKIDSA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C(C5(C2(C)C)C(C1O)OC(=O)O5)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC(=O)OC7CC8C(CO8)(C9C7(C(=O)C(C1=C(C(C2C(C9OC(=O)C3=CC=CC=C3)(C1(C)C)OC(=O)O2)O)C)OC(=O)C)C)OC(=O)C)C)OC(=O)C

别名

• SCHEMBL14484208