Chem
J-GLOBAL ID：200907028234909055   Nikkaji number：J821.239B

Spinosyn A

スピノシンA
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： C41H65NO10
Molecular formula furigana： C41-H65-N-O10
Molecular weight： 731.968
InChI： InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1
InChI key： SRJQTHAZUNRMPR-UYQKXTDMSA-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]1OC
Systematic name  (4)：
  • 1α,2β-[(R)-2-(2-O,3-O,4-O-トリメチル-α-L-ラムノピラノシルオキシ)プロパン-1,3-ジイル]-8β-エチル-12α-[[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]-13β-メチル-1,2,4aα,4bβ,8,9,10,11,12,13-デカヒドロ-7-オキサ-7H-シクロドデカ[a]インデン-6,14(5H,15aαH)-ジオン
  • (2R)-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]-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
  • (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-14-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
  • (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-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 (6)：
  • スピノシンA
  • Spinosyn A
  • 1α,2β-[(R)-2-(2-O,3-O,4-O-Trimethyl-α-L-rhamnopyranosyloxy)propane-1,3-diyl]-8β-ethyl-12α-[[5α-(dimethylamino)-6β-methyltetrahydro-2H-pyran]-2β-yloxy]-13β-methyl-1,2,4aα,4bβ,8,9,10,11,12,13-decahydro-7-oxa-7H-cyclododec[a]indene-6,14(5H,15aαH)-dione
  • (2R)-2α-[(2-O,3-O,4-O-Trimethyl-6-deoxy-α-L-mannopyranosyl)oxy]-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
  • (-)-スピノシンA
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CAS registry number： 131929-60-7
KEGG COMPOUND： C11054
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