Spinosyn Q

スピノシンQ

Decided structure
Molecular formula： C₄₁H₆₅NO₁₀
Molecular formula furigana： C41-H65-N-O10
Molecular weight： 731.968

InChI： InChI=1S/C41H65NO10/c1-10-25-12-11-13-34(52-36-15-14-33(42(6)7)23(4)48-36)22(3)37(44)32-19-30-28(31(32)20-35(43)50-25)16-21(2)27-17-26(18-29(27)30)51-41-38(45)40(47-9)39(46-8)24(5)49-41/h16,19,22-31,33-34,36,38-41,45H,10-15,17-18,20H2,1-9H3/t22-,23-,24+,25+,26+,27-,28+,29+,30-,31+,33+,34+,36+,38-,39+,40+,41+/m1/s1

InChI key： UAKAHYZIBGKZIA-KRLCCLPLSA-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]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]-3,13-ジメチル-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}-4,14-ジメチル-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}-4,14-dimethyl-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]-3,13-dimethyl-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Q
Spinosyn Q

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