22,23-Dihydro-5-hydroxy-5-demethoxyavermectin A_1a

22,23-ジヒドロ-5-ヒドロキシ-5-デメトキシエバーメクチンA_1a

Decided structure
Molecular formula： C₄₈H₇₄O₁₄
Molecular formula furigana： C48-H74-O14
Molecular weight： 875.106

InChI： InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1

InChI key： AZSNMRSAGSSBNP-XPNPUAGNSA-N

SMILES： CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)/[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C/3\CO[C@@H]4[C@H](O)C(=C[C@@H](C(=O)O1)[C@]34O)C)O2

Systematic name (3)：

22,23-ジヒドロ-5-ヒドロキシ-5-デメトキシアベルメクチンA_1a
(1'R,2R,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-[(2S)-ブタン-2-イル]-21',24'-ジヒドロキシ-12'-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-ヒドロキシ-4-メトキシ-6-メチルオキサン-2-イル]オキシ}-4-メトキシ-6-メチルオキサン-2-イル]オキシ}-5,11',13',22'-テトラメチル-3',7',19'-トリオキサスピロ[オキサン-2,6'-テトラシクロ[15.6.1.1^4,8.0^20,24]ペンタコサン]-10',14',16',22'-テトラエン-2'-オン
(1'R,2R,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^4,8.0^20,24]pentacosane]-10',14',16',22'-tetraen-2'-one

Other name (2)：

22,23-Dihydro-5-hydroxy-5-demethoxyavermectin A_1a
22,23-ジヒドロ-5-ヒドロキシ-5-デメトキシエバーメクチンA_1a

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22,23-Dihydro-5-hydroxy-5-demethoxyavermectin A1a

22,23-Dihydro-5-hydroxy-5-demethoxyavermectin A_1a