4,8.020,24]pentacosane]-10',14',16',22'-tetraen-2'-oneoxy]-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl 4-[4-(4-hydroxybutyl)-1,2,3-triazol-1-yl]benzoate" Detailed information of the J-GLOBAL is an information service managed by the Japan Science and Technology Agency (hereinafter referred to as "JST"). It provides free access to secondary information on researchers, articles, patents, etc., in science and technology, medicine and pharmacy. The search results guide you to high-quality primary information inside and outside JST.'>
Chem
J-GLOBAL ID：202007002171137218   Nikkaji number：J3.748.167J

(2S,3S,4S,6S)-6-{[(2S,3S,4S,6R)-6-[(1'R,2S,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-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.14,8.020,24]pentacosane]-10',14',16',22'-tetraen-2'-oneoxy]-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl 4-[4-(4-hydroxybutyl)-1,2,3-triazol-1-yl]benzoate

(2S,3S,4S,6S)-6-{[(2S,3S,4S,6R)-6-[(1'R,2S,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-5,11',13',22'-テトラメチル-5,6-ジヒドロ-3',7',19'-トリオキサスピロ[ピラン-2,6'-テトラシクロ[15.6.1.14,8.020,24]ペンタコサン]-10',14',16',22'-テトラエン-2'-オネオキシ]-4-メトキシ-2-メチルオキサン-3-イル]オキシ}-4-メトキシ-2-メチルオキサン-3-イル4-[4-(4-ヒドロキシブチル)-1,2,3-トリアゾール-1-イル]ベンゾアート
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C61H85N3O16
Molecular formula furigana： C61-H85-N3-O16
Molecular weight： 1116.356
InChI： InChI=1S/C61H85N3O16/c1-11-34(2)54-37(5)24-25-60(80-54)31-46-28-45(79-60)23-18-36(4)53(35(3)15-14-16-42-33-72-57-52(66)38(6)27-47(59(68)75-46)61(42,57)69)76-50-29-48(70-9)55(39(7)73-50)77-51-30-49(71-10)56(40(8)74-51)78-58(67)41-19-21-44(22-20-41)64-32-43(62-63-64)17-12-13-26-65/h14-16,18-22,24-25,27,32,34-35,37,39-40,45-57,65-66,69H,11-13,17,23,26,28-31,33H2,1-10H3/b15-14+,36-18+,42-16+/t34-,35-,37-,39-,40-,45+,46-,47-,48-,49-,50-,51-,52+,53-,54+,55-,56-,57+,60+,61+/m0/s1
InChI key： DJZHKPVPMNWMLE-YRVXTMTOSA-N
SMILES： O1[C@]2(C=C[C@@H]([C@H]1[C@@H](C)CC)C)C[C@H]1OC(=O)[C@H]3[C@@]4(/C(=C/C=C/[C@@H]([C@@H](/C(=C/C[C@@H](O2)C1)/C)O[C@@H]1O[C@H]([C@@H]([C@H](C1)OC)O[C@@H]1O[C@H]([C@@H]([C@H](C1)OC)OC(=O)c1ccc(cc1)n1nnc(c1)CCCCO)C)C)C)/CO[C@@H]4[C@@H](C(=C3)C)O)O
Systematic name  (3)：
  • (1'R,2S,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-[[4-[4-(4-ヒドロキシブチル)-1H-1,2,3-トリアゾール-1-イル]ベンゾイル]オキシ]-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-5,6-ジヒドロ-3',7',19'-トリオキサスピロ[ピラン-2,6'-テトラシクロ[15.6.1.14,8.020,24]ペンタコサン]-10',14',16',22'-テトラエン-2'-オン
  • (2S,3S,4S,6S)-6-{[(2S,3S,4S,6R)-6-[(1'R,2S,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-5,11',13',22'-テトラメチル-5,6-ジヒドロ-3',7',19'-トリオキサスピロ[ピラン-2,6'-テトラシクロ[15.6.1.14,8.020,24]ペンタコサン]-10',14',16',22'-テトラエン-2'-オネオキシ]-4-メトキシ-2-メチルオキサン-3-イル]オキシ}-4-メトキシ-2-メチルオキサン-3-イル4-[4-(4-ヒドロキシブチル)-1H-1,2,3-トリアゾール-1-イル]ベンゾアート
  • (2S,3S,4S,6S)-6-{[(2S,3S,4S,6R)-6-[(1'R,2S,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-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.14,8.020,24]pentacosane]-10',14',16',22'-tetraen-2'-oneoxy]-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl 4-[4-(4-hydroxybutyl)-1H-1,2,3-triazol-1-yl]benzoate
Other name (2)：
  • (2S,3S,4S,6S)-6-{[(2S,3S,4S,6R)-6-[(1'R,2S,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-5,11',13',22'-テトラメチル-5,6-ジヒドロ-3',7',19'-トリオキサスピロ[ピラン-2,6'-テトラシクロ[15.6.1.14,8.020,24]ペンタコサン]-10',14',16',22'-テトラエン-2'-オネオキシ]-4-メトキシ-2-メチルオキサン-3-イル]オキシ}-4-メトキシ-2-メチルオキサン-3-イル4-[4-(4-ヒドロキシブチル)-1,2,3-トリアゾール-1-イル]ベンゾアート
  • (2S,3S,4S,6S)-6-{[(2S,3S,4S,6R)-6-[(1'R,2S,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-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.14,8.020,24]pentacosane]-10',14',16',22'-tetraen-2'-oneoxy]-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl 4-[4-(4-hydroxybutyl)-1,2,3-triazol-1-yl]benzoate
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