分析物名称

Avilamycin

CAS登记号

11051-71-1

分子式

C61H88Cl2O32

分子量

1404.24

精确质量测定

1402.46

SMILES

[H][C@]12[C@]([H])([C@@]3(O[C@@H]([C@@]2(O)C(C)=O)C)O[C@]([H])(C4O3)CO[C@H]([C@@H]4OC(C(C)C)=O)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@@H]5OC)O)O[C@@H]6O[C@@H]([C@@H]([C@@H]([C@H]6O)O[C@@H]7O[C@@H]([C@]8(OC9(O[C@@]8(C7)C)C[C@H]([C@@H]([C@H](O9)C)O[C@@H]%10O[C@@H]([C@H]([C@@H](C%10)O)OC(C%11=C(C(Cl)=C(C(Cl)=C%11OC)O)C)=O)C)O)[H])C)OC)C)COC)OCO1

InChI

InChI=1S/C61H88Cl2O32/c1-21(2)53(70)87-49-45-32(92-61(93-45)52-51(78-20-79-52)60(72,27(8)64)28(9)91-61)19-77-56(49)89-57-48(76-14)39(68)44(31(83-57)18-73-11)88-55-40(69)47(43(74-12)24(5)82-55)85-34-17-58(10)50(26(7)81-34)94-59(95-58)16-30(66)42(25(6)90-59)84-33-15-29(65)41(23(4)80-33)86-54(71)35-22(3)36(62)38(67)37(63)46(35)75-13/h21,23-26,28-34,39-45,47-52,55-57,65-69,72H,15-20H2,1-14H3/t23-,24-,25-,26-,28-,29-,30-,31-,32+,33+,34+,39+,40-,41-,42-,43+,44-,45?,47-,48+,49-,50-,51-,52-,55+,56+,57+,58-,59?,60+,61-/m1/s1

IUPAC

(2R,3S,4R,6S)-6-(((3a'R,4R,4'R,5S,6R,6'S,7a'R)-6'-(((2S,3R,4R,5S,6R)-2-(((2R,3S,4S,5S,6S)-6-(((2R,3aS,3a'R,6S,6'R,7R,7'S,7a'R)-7'-acetyl-7'-hydroxy-7-(isobutyryloxy)-6'-methyloctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl)oxy)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-3-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl)oxy)-4-hydroxy-4',6,7a'-trimethyloctahydro-4'H-spiro[pyran-2,2'-[1,3]dioxolo[4,5-c]pyran]-5-yl)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate

存储温度

-20°C

运输温度

Room Temperature

原产国

CANADA

产品类型

API

产品形式

Neat

API家族

Avilamycin