Chem
J-GLOBAL ID：201107061505220738   Nikkaji number：J2.971.981K

Spinetoram J

スピネトラムJ
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： C42H69NO10
Molecular formula furigana： C42-H69-N-O10
Molecular weight： 748.011
InChI： InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28-,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1
InChI key： GOENIMGKWNZVDA-RWGFPKGXSA-N
SMILES： CCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O[C@@H]2C[C@H]3CC[C@H]4[C@@H]5CC(=O)O[C@@H](CC)CCC[C@H](O[C@H]6CC[C@@H]([C@@H](C)O6)N(C)C)[C@@H](C)C(=O)C5=C[C@H]4[C@@H]3C2)[C@@H]1OC
Systematic name  (3)：
  • (1S,2R,5R,7R,9R,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-14-メチル-20-オキサテトラシクロ[10.10.0.02,10.05,9]ドコサ-11-エン-13,21-ジオン
  • (2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-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-14-メチル-1H,2H,3H,3aH,4H,5H,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
  • (2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-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-14-methyl-1H,2H,3H,3aH,4H,5H,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,2R,5R,7R,9R,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-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-11-ene-13,21-dione
  • スピネトラムJ
  • Spinetoram J
CAS registry number： 187166-40-1
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