Chem
J-GLOBAL ID：201107094280715053   Nikkaji number：J2.971.982I

Spinetoram L

スピネトラムL
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： C43H69NO10
Molecular formula furigana： C43-H69-N-O10
Molecular weight： 760.022
InChI： InChI=1S/C43H69NO10/c1-11-27-14-13-15-36(54-38-17-16-35(44(7)8)25(5)50-38)24(4)39(46)34-21-32-30(33(34)22-37(45)52-27)18-23(3)29-19-28(20-31(29)32)53-43-42(48-10)41(49-12-2)40(47-9)26(6)51-43/h18,21,24-33,35-36,38,40-43H,11-17,19-20,22H2,1-10H3/t24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,35+,36+,38+,40+,41-,42-,43+/m1/s1
InChI key： KWVYSEWJJXXTEZ-GDMNSMANSA-N
SMILES： CCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O[C@H]2C[C@@H]3[C@@H](C2)C(=C[C@H]2[C@@H]4CC(=O)O[C@@H](CC)CCC[C@H](O[C@H]5CC[C@@H]([C@@H](C)O5)N(C)C)[C@@H](C)C(=O)C4=C[C@@H]32)C)[C@@H]1OC
Systematic name  (3)：
  • (1S,2S,5R,7S,9S,10S,14R,15S,19S)-7-(6-デオキシ-3-O-エチル-2-O,4-O-ジメチル-α-L-マンノピラノシルオキシ)-15-[[(2R,5S,6R)-5-(ジメチルアミノ)テトラヒドロ-6-メチル-2H-ピラン-2-イル]オキシ]-19-エチル-4,14-ジメチル-20-オキサテトラシクロ[10.10.0.02,10.05,9]ドコサン-3,11-ジエン-13,21-ジオン
  • (2S,3aR,5aS,5bS,9S,13S,14R,16aS,16bS)-13-{[(2R,5S,6R)-5-(ジメチルアミノ)-6-メチルオキサン-2-イル]オキシ}-2-{[(2R,3R,4R,5S,6S)-4-エトキシ-3,5-ジメトキシ-6-メチルオキサン-2-イル]オキシ}-9-エチル-4,14-ジメチル-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-インダセノ[3,2-d]オキサシクロドデカン-7,15-ジオン
  • (2S,3aR,5aS,5bS,9S,13S,14R,16aS,16bS)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-{[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy}-9-ethyl-4,14-dimethyl-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione
Other name (3)：
  • (1S,2S,5R,7S,9S,10S,14R,15S,19S)-7-(6-Deoxy-3-O-ethyl-2-O,4-O-dimethyl-α-L-mannopyranosyloxy)-15-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-19-ethyl-4,14-dimethyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosane-3,11-diene-13,21-dione
  • スピネトラムL
  • Spinetoram L
CAS registry number： 187166-15-0
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