100242-41-9 (6-壬烯酸，8-[（2S，2'R，3R，4'S，5S，5'R，7R，7'R，8R，9S，10'R）-9-羟基-2,4'，8,10'-四甲基-2'-[（2S，3S，5R，6R）-四氢-6-羟基-6-（羟甲基）-3,5-二甲基-2H-吡喃-2-基]-3-[（2S，5S，6R）-四氢-5-甲氧基-6-甲基-2H-吡喃-2-基]氧基][2,7'-双-1,6-二氧杂螺[4.5]癸基]-7-基]-2,4,6-三甲基-5-氧代-（2S，4R，6E，8S）-,6-Nonenoic acid,8-[(2S,2'R,3R,4'S,5S,5'R,7R,7'R,8R,9S,10'R)-9-hydroxy-2,4',8,10'-tetramethyl-2'-[(2S,3S,5R,6R)-tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl]-3-[[(2S,5S,6R)-tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl]oxy][2,7'-bi-1,6-dioxaspiro[4.5]dec]-7-yl]-2,4,6-trimethyl-5-oxo-,(2S,4R,6E,8S)-)

结构式：

6-壬烯酸，8-[（2S，2'R，3R，4'S，5S，5'R，7R，7'R，8R，9S，10'R）-9-羟基-2,4'，8,10'-四甲基-2'-[（2S，3S，5R，6R）-四氢-6-羟基-6-（羟甲基）-3,5-二甲基-2H-吡喃-2-基]-3-[（2S，5S，6R）-四氢-5-甲氧基-6-甲基-2H-吡喃-2-基]氧基][2,7'-双-1,6-二氧杂螺[4.5]癸基]-7-基]-2,4,6-三甲基-5-氧代-（2S，4R，6E，8S）-MOL文件

CAS号：

100242-41-9

中文名称：

英文名称：

分子式：

C₄₇H₇₈O₁₄

分子量：

867.113836765289

6-壬烯酸，8-[（2S，2'R，3R，4'S，5S，5'R，7R，7'R，8R，9S，10'R）-9-羟基-2,4'，8,10'-四甲基-2'-[（2S，3S，5R，6R）-四氢-6-羟基-6-（羟甲基）-3,5-二甲基-2H-吡喃-2-基]-3-[（2S，5S，6R）-四氢-5-甲氧基-6-甲基-2H-吡喃-2-基]氧基][2,7'-双-1,6-二氧杂螺[4.5]癸基]-7-基]-2,4,6-三甲基-5-氧代-（2S，4R，6E，8S）-(100242-41-9)名称与标识符

名称

英文别名：

6-Nonenoic acid,8-[(2S,2'R,3R,4'S,5S,5'R,7R,7'R,8R,9S,10'R)-9-hydroxy-2,4',8,10'-tetramethyl-2'-[(2S,3S,5R,6R)-tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl]-3-[[(2S,5S,6R)-tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl]oxy][2,7'-bi-1,6-dioxaspiro[4.5]dec]-7-yl]-2,4,6-trimethyl-5-oxo-,(2S,4R,6E,8S)-;endusamycin;(2S,4R,6E,8S)-8-[(2S,2'R,3R,4'S,5S,7R,7'R,8R,9S,10'R)-9-hydroxy-2'-[(2R,3R,5S,6S)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]-3-{[(2S,5S,6R)-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-2,4',8,10'-tetramethyl-2,7'-bi(1,6-dioxaspiro[4.5]decan)-7-yl]-2,;CP 63517;Dianemycin, 19-de((tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)-15-((tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)-, (15(2S,5S,6R))-;CP-63517;Q27293800;XE5GN2P1IT;100242-41-9;UNII-XE5GN2P1IT;(E,2S,4R,8S)-8-[(2S,3R,5S,7S,8R,9R)-7-hydroxy-2-[(2R,4S,5R,6R,9R)-2-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-4,6-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid;

标识符

InChIKey：

IXZQKHXEQYZXTP-RATZTJMHSA-N

Inchi：

1S/C47H78O14/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-32(9)34(49)21-45(59-41)22-38(56-39-16-14-35(54-12)33(10)55-39)44(11,61-45)37-15-13-29(6)47(58-37)31(8)20-36(57-47)42-27(4)19-30(7)46(53,23-48)60-42/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52)/b24-17+/t25-,26+,27+,28+,29-,30-,31+,32-,33-,34+,35+,36-,37-,38-,39+,41-,42+,44-,45+,46+,47-/m1/s1

SMILES：

O1[C@H](CC[C@@H](C)[C@@]21[C@@H](C)C[C@H]([C@@H]1[C@@H](C)C[C@@H](C)[C@@](CO)(O)O1)O2)[C@]1(C)[C@@H](C[C@]2(C[C@@H]([C@@H](C)[C@@H]([C@H](/C=C(\C)/C([C@H](C)C[C@@H](C(=O)O)C)=O)C)O2)O)O1)O[C@H]1CC[C@@H]([C@@H](C)O1)OC