化学式

CAS号

IUPAC Name

[(4R)-8-[(5S,6S,7R)-6-[[(5S,7S)-5-(5-乙酰氧基-4-羟基-4,6-dimethyloxan-2-基)氧基-7,9-二羟基-10-甲氧基-2,3-二甲基-8-氧代-6,7-二氢-5H-蒽-1-基]氧基]-3-(二甲氧基甲基)螺[2,4-二氧杂三环[3.2.1.01,3]辛烷-7,2'-环氧乙烷]-6-基]氧基-4,10-二甲基-2-氧代-1,3,9-trioxaspiro[4.5]癸烷-6-基]乙酸酯 [(4R)-8-[(5S,6S,7R)-6-[[(5S,7S)-5-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-7,9-dihydroxy-10-methoxy-2,3-dimethyl-8-oxo-6,7-dihydro-5H-anthracen-1-yl]oxy]-3-(dimethoxymethyl)spiro[2,4-dioxatricyclo[3.2.1.01,3]octane-7,2'-oxirane]-6-yl]oxy-4,10-dimethyl-2-oxo-1,3,9-trioxaspiro[4.5]decan-6-yl] acetate

InChI

InChI=1S/C47H58O22/c1-18-12-25-32(36(52)34-33(38(25)55-9)27(13-26(50)35(34)51)64-31-16-42(8,54)39(20(3)59-31)63-24(7)49)37(19(18)2)67-46(29-15-43(44(46)17-58-44)47(65-29,69-43)40(56-10)57-11)66-30-14-28(62-23(6)48)45(21(4)60-30)22(5)61-41(53)68-45/h12,20-22,26-31,39-40,50,52,54H,13-17H2,1-11H3/t20?,21?,22-,26+,27+,28?,29+,30?,31?,39?,42?,43?,44-,45?,46-,47?/m1/s1

InChI Key

ABOHIZJPOXTRIM-AMPAAICJSA-N

Canonical SMILES

CC1C(C(CC(O1)OC2CC(C(=O)C3=C(C4=C(C=C(C(=C4OC5(C6CC7(C58CO8)C(O6)(O7)C(OC)OC)OC9CC(C1(C(O9)C)C(OC(=O)O1)C)OC(=O)C)C)C)C(=C23)OC)O)O)(C)O)OC(=O)C

别名

• SCHEMBL20671493