Chem
J-GLOBAL ID：200907066128585908   Nikkaji number：J739.086F

Spinosyn D

スピノシンD
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： C42H67NO10
Molecular formula furigana： C42-H67-N-O10
Molecular weight： 745.995
InChI： InChI=1S/C42H67NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1
InChI key： RDECBWLKMPEKPM-PSCJHHPTSA-N
SMILES： CC[C@H]1CCC[C@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C(=C[C@H]3[C@@H]2CC(=O)O1)C)O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC
Systematic name  (3)：
  • (2S)-2α-[(2-O,3-O,4-O-トリメチル-6-デオキシ-α-L-マンノピラノシル)オキシ]-4-メチル-1,2,3,3aα,5aα,6,8aα,8bβ-オクタヒドロ-7,6α-[[(2R,3S,7S)-2-メチル-7-エチル-1,9-ジオキソ-3-[[[(2R)-テトラヒドロ-5α-(ジメチルアミノ)-6β-メチル-2H-ピラン]-2β-イル]オキシ]-8-オキサデカン]-1,10-ジイル]-as-インダセン
  • (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}-9-エチル-4,14-ジメチル-2-{[(2R,3R,4R,5S,6S)-3,4,5-トリメトキシ-6-メチルオキサン-2-イル]オキシ}-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}-9-ethyl-4,14-dimethyl-2-{[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-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 (5)：
  • スピノシンD
  • (2S,3aR,5aS,5bS,9S,13S,14R,16aS,16bS)-2-[(6-デオキシ-2-O,3-O,4-O-トリメチル-α-L-マンノピラノシル)オキシ]-13-[[[(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]-9-エチル-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-テトラデカヒドロ-4,14-ジメチル-1H-as-インダセノ[3,2-d]オキサシクロドデシン-7,15-ジオン
  • Spinosyn D
  • A-83543D
  • (2S)-2α-[(2-O,3-O,4-O-Trimethyl-6-deoxy-α-L-mannopyranosyl)oxy]-4-methyl-1,2,3,3aα,5aα,6,8aα,8bβ-octahydro-7,6α-[[(2R,3S,7S)-2-methyl-7-ethyl-1,9-dioxo-3-[[[(2R)-tetrahydro-5α-(dimethylamino)-6β-methyl-2H-pyran]-2β-yl]oxy]-8-oxadecane]-1,10-diyl]-as-indacene
CAS registry number： 131929-63-0
KEGG COMPOUND： C11056
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