Spynosyn C

スピノシンC

Decided structure
Molecular formula： C₃₉H₆₁NO₁₀
Molecular formula furigana： C39-H61-N-O10
Molecular weight： 703.914

InChI： InChI=1S/C39H61NO10/c1-8-24-10-9-11-32(50-34-15-14-31(40)21(3)46-34)20(2)35(42)30-18-28-26(29(30)19-33(41)48-24)13-12-23-16-25(17-27(23)28)49-39-38(45-7)37(44-6)36(43-5)22(4)47-39/h12-13,18,20-29,31-32,34,36-39H,8-11,14-17,19,40H2,1-7H3/t20-,21-,22+,23-,24+,25-,26-,27-,28-,29+,31+,32+,34+,36+,37-,38-,39+/m1/s1

InChI key： UCIKDXWOTCSOTN-PNXRJMMDSA-N

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

Systematic name (3)：

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-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,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-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-amino-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 (3)：

1α,2β-[(R)-2-(2-O,3-O,4-O-Trimethyl-α-L-rhamnopyranosyloxy)propane-1,3-diyl]-8β-ethyl-12α-[(5α-amino-6β-methyltetrahydro-2H-pyran)-2β-yloxy]-13β-methyl-1,2,4aα,4bβ,8,9,10,11,12,13-decahydro-7-oxa-7H-cyclododeca[a]indene-6,14(5H,15aαH)-dione
スピノシンC
Spynosyn C

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