| CAS Number | 1987882-62-1 |
| Catalog Number | AG01EPWF(AGN-PC-3H4741) |
| Chemical Name | epi-Doramectin |
| IUPAC Name | (1'S,2R,3S,4'S,6S,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,24'S)-2-cyclohexyl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one |
| InChI | InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12-,28-17-,34-16?/t27-,29-,31-,32-,35+,36-,37+,38-,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/m0/s1 |
| InChI Key | QLFZZSKTJWDQOS-UEIUJGOBSA-N |
| Molecular Formula | C50H74O14 |
| Molecular Weight | 899.1142 |
| SMILES | C/C([C@@H](O[C@@]1([H])C[C@H](OC)[C@@H](O[C@]2([H])O[C@@H](C)[C@H](O)[C@@H](OC)C2)[C@H](C)O1)[C@@H](C)/C=C/C=C(CO3)/[C@@]([C@@]3([H])[C@H](O)C(C)=C4)(O)[C@@]4([H])C5=O)=CC[C@]6([H])C[C@@](O5)([H])C[C@]7(C=C[C@H](C)[C@@H](C8CCCCC8)O7)O6 |
| Synonyms | (2S)-25-cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-avermectinA1a,
1987882-62-1,
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