化学式

CAS号

IUPAC Name

[(3aS,4R,5R,6S,7R,10R,11S,12R,13S,14S,15aS)-7-[(2R)-1-[(2R,3R,4R,5R,6R)-5-乙酰氧基-3,4-二甲氧基-6-methyloxan-2-基]oxypropan-2-基]-13-[(2S,3R,6R)-3-乙酰氧基-6-甲基-4-methyliminooxan-2-基]氧基-3a-氯-11-[(2R,4R,5S,6S)-4,5-二乙酰-4,6-dimethyloxan-2-基]氧基-4,6,10,12,14,15a-六甲基-2,9-二氧代 [(3aS,4R,5R,6S,7R,10R,11S,12R,13S,14S,15aS)-7-[(2R)-1-[(2R,3R,4R,5R,6R)-5-acetyloxy-3,4-dimethoxy-6-methyloxan-2-yl]oxypropan-2-yl]-13-[(2S,3R,6R)-3-acetyloxy-6-methyl-4-methyliminooxan-2-yl]oxy-3a-chloro-11-[(2R,4R,5S,6S)-4,5-diacetyloxy-4,6-dimethyloxan-2-yl]oxy-4,6,10,12,14,15a-hexamethyl-2,9-dioxo-5,6,7,8,10,11,12,13,14,15-decahydro-4H-cyclotetradeca[d][1,3]dioxol-5-yl] 3-methylbutanoate

InChI

InChI=1S/C59H94ClNO22/c1-27(2)21-44(67)78-48-31(6)41(29(4)26-71-54-52(70-20)51(69-19)49(35(10)74-54)75-37(12)62)23-43(66)32(7)47(79-45-25-57(16,81-40(15)65)53(36(11)73-45)77-39(14)64)33(8)46(28(3)24-58(17)59(60,34(48)9)83-56(68)82-58)80-55-50(76-38(13)63)42(61-18)22-30(5)72-55/h27-36,41,45-55H,21-26H2,1-20H3/t28-,29-,30+,31-,32-,33+,34+,35+,36-,41+,45-,46-,47+,48+,49+,50+,51+,52+,53-,54+,55-,57+,58-,59+/m0/s1

InChI Key

GVLQKVWLFOUJST-QWGBOWOSSA-N

Canonical SMILES

CC1CC(=NC)C(C(O1)OC2C(CC3(C(C(C(C(C(CC(=O)C(C(C2C)OC4CC(C(C(O4)C)OC(=O)C)(C)OC(=O)C)C)C(C)COC5C(C(C(C(O5)C)OC(=O)C)OC)OC)C)OC(=O)CC(C)C)C)(OC(=O)O3)Cl)C)C)OC(=O)C

别名

• SCHEMBL16941196