Spinosyn N

スピノシンN

Decided structure
Molecular formula： C₄₀H₆₃NO₁₀
Molecular formula furigana： C40-H63-N-O10
Molecular weight： 717.941

InChI： InChI=1S/C40H63NO10/c1-9-24-11-10-12-33(51-35-14-13-32(41-6)22(4)47-35)21(3)36(43)31-18-29-27(30(31)19-34(42)49-24)15-20(2)26-16-25(17-28(26)29)50-40-39(46-8)37(44)38(45-7)23(5)48-40/h15,18,21-30,32-33,35,37-41,44H,9-14,16-17,19H2,1-8H3/t21-,22-,23+,24+,25+,26+,27-,28-,29-,30+,32+,33+,35+,37-,38+,39-,40+/m1/s1

InChI key： PGTPZQVUXFPXLO-JTJOIRQHSA-N

SMILES： CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](NC)[C@@H](C)O2)[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](O)[C@H]1OC

Systematic name (3)：

(1S,17R)-3,13β-ジメチル-8β-エチル-12α-[5α-(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]-17-(2-O,4-O-ジメチル-α-L-ラムノピラノシルオキシ)-1α,2β-プロパノ-1,2,4aα,4bβ,5,6,8,9,10,11,12,13,14,15aα-テトラデカヒドロ-7-オキサ-7H-シクロドデカ[a]インデン-6,14-ジオン
(2R,3aR,5aS,5bS,9S,13S,14R,16aS,16bS)-9-エチル-2-{[(2R,3R,4R,5R,6S)-4-ヒドロキシ-3,5-ジメトキシ-6-メチルオキサン-2-イル]オキシ}-4,14-ジメチル-13-{[(2R,5S,6R)-6-メチル-5-(メチルアミノ)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,3aR,5aS,5bS,9S,13S,14R,16aS,16bS)-9-ethyl-2-{[(2R,3R,4R,5R,6S)-4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy}-4,14-dimethyl-13-{[(2R,5S,6R)-6-methyl-5-(methylamino)oxan-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 (3)：

(1S,17R)-3,13β-Dimethyl-8β-ethyl-12α-[5α-(methylamino)-6β-methyltetrahydro-2H-pyran-2β-yloxy]-17-(2-O,4-O-dimethyl-α-L-rhamnopyranosyloxy)-1α,2β-propano-1,2,4aα,4bβ,5,6,8,9,10,11,12,13,14,15aα-tetradecahydro-7-oxa-7H-cyclododeca[a]indene-6,14-dione
スピノシンN
Spinosyn N

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