Chem
J-GLOBAL ID：200907041777840027   Nikkaji number：J1.291.808I

Spinosyn H

スピノシンH
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： C40H63NO10
Molecular formula furigana： C40-H63-N-O10
Molecular weight： 717.941
InChI： InChI=1S/C40H63NO10/c1-9-25-11-10-12-33(51-35-16-15-32(41(5)6)22(3)47-35)21(2)36(43)31-19-29-27(30(31)20-34(42)49-25)14-13-24-17-26(18-28(24)29)50-40-37(44)39(46-8)38(45-7)23(4)48-40/h13-14,19,21-30,32-33,35,37-40,44H,9-12,15-18,20H2,1-8H3/t21-,22-,23+,24-,25+,26-,27-,28-,29-,30+,32+,33+,35+,37-,38+,39+,40+/m1/s1
InChI key： IOCQRADVOJDJIS-SGFJDKLNSA-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)O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1O
Systematic name  (3)：
  • (1R,2S,4aR,4bS,8S,12S,13R,15aS,17R)-8-エチル-12-[[5α-(ジメチルアミノ)-6β-メチルテトラヒドロ-2H-ピラン]-2β-イルオキシ]-13-メチル-17-(3-O,4-O-ジメチル-α-L-ラムノピラノシルオキシ)-1,2,4a,4b,5,8,9,10,11,12,13,15a-ドデカヒドロ-1,2-プロパノ-7-オキサ-7H-シクロドデカ[a]インデン-6,14-ジオン
  • (2R,3aS,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}-9-エチル-2-{[(2R,3R,4S,5S,6S)-3-ヒドロキシ-4,5-ジメトキシ-6-メチルオキサン-2-イル]オキシ}-14-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
  • (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-2-{[(2R,3R,4S,5S,6S)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy}-14-methyl-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)：
  • (1R,2S,4aR,4bS,8S,12S,13R,15aS,17R)-8-Ethyl-12-[[5α-(dimethylamino)-6β-methyltetrahydro-2H-pyran]-2β-yloxy]-13-methyl-17-(3-O,4-O-dimethyl-α-L-rhamnopyranosyloxy)-1,2,4a,4b,5,8,9,10,11,12,13,15a-dodecahydro-1,2-propano-7-oxa-7H-cyclododeca[a]indene-6,14-dione
  • スピノシンH
  • Spinosyn H
KEGG COMPOUND： C15706
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