3′-O-Ethyl-5,6-dihydrospinosyn J

3′-O-エチル-5,6-ジヒドロスピノシンJ

Decided structure
Molecular formula： C₄₂H₆₉NO₁₀
Molecular formula furigana： C42-H69-N-O10
Molecular weight： 748.011

InChI： InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26+,27+,28-,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1

InChI key： GOENIMGKWNZVDA-MFVSTLPLSA-N

SMILES： CCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O[C@@H]2C[C@@H]3CC[C@H]4[C@@H]5CC(=O)O[C@@H](CC)CCC[C@H](O[C@H]6CC[C@@H]([C@@H](C)O6)N(C)C)[C@@H](C)C(=O)C5=C[C@H]4[C@@H]3C2)[C@@H]1OC

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-(2-O,4-O-ジメチル-3-O-エチル-α-L-ラムノピラノシルオキシ)-1,2,3,4,4a,4b,5,8,9,10,11,12,13,15a-テトラデカヒドロ-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}-2-{[(2R,3R,4R,5S,6S)-4-エトキシ-3,5-ジメトキシ-6-メチルオキサン-2-イル]オキシ}-9-エチル-14-メチル-1H,2H,3H,3aH,4H,5H,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}-2-{[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-1H,2H,3H,3aH,4H,5H,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-(2-O,4-O-dimethyl-3-O-ethyl-α-L-rhamnopyranosyloxy)-1,2,3,4,4a,4b,5,8,9,10,11,12,13,15a-tetradecahydro-1,2-propano-7-oxa-7H-cyclododeca[a]indene-6,14-dione
3′-O-Ethyl-5,6-dihydrospinosyn J
3′-O-エチル-5,6-ジヒドロスピノシンJ

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