Chem
J-GLOBAL ID:200907066074494596
Nikkaji number:J630.515F
Emamectin
エマメクチン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C49 H75 NO13
Molecular formula furigana:
C49-H75-N-O13
Molecular weight:
886.133
InChI:
InChI=1S/C49H75NO13/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3/b14-13?,28-16?,33-15-/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43-,44+,45-,46+,48+,49+/m0/s1
InChI key:
CXEGAUYXQAKHKJ-XWCPYPFZSA-N
SMILES:
CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=C/C=C\4/CO[C@@H]5[C@H](O)C(=C[C@@H](C(=O)O3)[C@]45O)C)O2)C=C[C@@H]1C
Systematic name (5):
4′′α-(メチルアミノ)-4′′-デオキシ-5-O-デメチルアベルメクチンA1a
4′′α-メチルアミノ-4′′-デオキシ-5-O-デメチルアベルメクチンA1a
5-O-デメチル-4′′-デオキシ-4′′α-(メチルアミノ)アベルメクチンA1a
(1'R,2S,4'S,5S,6R,8'R,12'S,13'S,16'Z,20'R,21'R,24'S)-6-[(2S)-ブタン-2-イル]-21',24'-ジヒドロキシ-12'-{[(2R,4S,5S,6S)-4-メトキシ-5-{[(2S,4S,5R,6S)-4-メトキシ-6-メチル-5-(メチルアミノ)オキサン-2-イル]オキシ}-6-メチルオキサン-2-イル]オキシ}-5,11',13',22'-テトラメチル-5,6-ジヒドロ-3',7',19'-トリオキサスピロ[ピラン-2,6'-テトラシクロ[15.6.1.14,8 .020,24 ]ペンタコサン]-10',14',16',22'-テトラエン-2'-オン
(1'R,2S,4'S,5S,6R,8'R,12'S,13'S,16'Z,20'R,21'R,24'S)-6-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-4-methoxy-5-{[(2S,4S,5R,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.14,8 .020,24 ]pentacosane]-10',14',16',22'-tetraen-2'-one
Other name (11):
4′′α-Methylamino-4′′-deoxy-5-O-demethylavermectin A1a
エマメクチン
5-O-Demethyl-4′′-deoxy-4′′α-(methylamino)avermectin A1a
エマメクチンB1a
Emamectin B1a
Emamectin
4′′α-(メチルアミノ)-4′′-デオキシ-5-O-デメチルエバーメクチンA1a
4′′α-メチルアミノ-4′′-デオキシ-5-O-デメチルエバーメクチンA1a
5-O-デメチル-4′′-デオキシ-4′′α-(メチルアミノ)エバーメクチンA1a
エマメクチンB1a
Emamectin B1a
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