Chem
J-GLOBAL ID:200907045032923856   Nikkaji number:J1.944.060E

(1S,3R,5S,6S)-1-Hydroxy-1-[(2R,5S,5′R)-6β-methyl-6′′β-(5-acetoxy-1-pentenyl)-2,3,3′,3aβ,4′,5′′,6,6′′,7,7aβ-decahydrodispiro[5H-furo[3,2-b]pyran-5,2′(5′H)-furan-5′,2′′-[2H]pyran]-2β-yl]-3,5-dimethyl-6-acetoxy-7-[[(2S,3aα,9aα)-1′-[2-(trimethylsilyl)ethoxycarbonyl]-3′β,5′β,7β-trimethyl-5β,9β-epoxyoctahydrospiro[2H-furo[3,2-b]oxocin-2,2′-piperidine]-5-yl]methyl]-7-octene-2-one

(1S,3R,5S,6S)-1-ヒドロキシ-1-[(2R,5S,5′R)-6β-メチル-6′′β-(5-アセトキシ-1-ペンテニル)-2,3,3′,3aβ,4′,5′′,6,6′′,7,7aβ-デカヒドロジスピロ[5H-フロ[3,2-b]ピラン-5,2′(5′H)-フラン-5′,2′′-[2H]ピラン]-2β-イル]-3,5-ジメチル-6-アセトキシ-7-[[(2S,3aα,9aα)-1′-[2-(トリメチルシリル)エトキシカルボニル]-3′β,5′β,7β-トリメチル-5β,9β-エポキシオクタヒドロスピロ[2H-フロ[3,2-b]オキソシン-2,2′-ピペリジン]-5-イル]メチル]-7-オクテン-2-オン
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: C57H89NO15Si
Molecular formula furigana: C57-H89-N-O15-SI
Molecular weight: 1056.416
InChI: InChI=1S/C57H89NO15Si/c1-34-26-47-52-48(32-56(72-52)39(6)25-35(2)33-58(56)53(63)65-23-24-74(10,11)12)70-55(30-34,69-47)31-38(5)51(66-42(9)60)37(4)27-36(3)49(61)50(62)46-29-45-44(67-46)28-40(7)57(71-45)21-20-54(73-57)19-16-18-43(68-54)17-14-13-15-22-64-41(8)59/h14,16-17,19,34-37,39-40,43-48,50-52,62H,5,13,15,18,20-33H2,1-4,6-12H3/t34-,35+,36+,37-,39-,40-,43+,44-,45-,46+,47+,48+,50-,51-,52+,54-,55-,56-,57-/m0/s1
InChI key: BQTHCXGEHJXQIY-TYFNXIRPSA-N
SMILES: C[C@@H](C[C@@H](C)C(=O)[C@@H](O)[C@H]1C[C@@H]2O[C@]3(CC[C@]4(O3)O[C@@H](CC=C4)C=CCCCOC(=O)C)[C@@H](C)C[C@@H]2O1)[C@H](OC(=O)C)C(=C)C[C@@]12C[C@@H](C)C[C@@H](O1)[C@H]1O[C@@]3(C[C@H]1O2)[C@@H](C)C[C@@H](C)CN3C(=O)OCC[Si](C)(C)C
Systematic name  (3):
  • (1S,3R,5S,6S)-1-ヒドロキシ-1-[(2R,5S,5′R)-6β-メチル-6′′β-(5-アセトキシ-1-ペンテニル)-2,3,3′,3aβ,4′,5′′,6,6′′,7,7aβ-デカヒドロジスピロ[5H-フロ[3,2-b]ピラン-5,2′(5′H)-フラン-5′,2′′-[2H]ピラン]-2β-イル]-3,5-ジメチル-6-アセトキシ-7-[[(2S,3aα,9aα)-1′-[2-(トリメチルシリル)エトキシカルボニル]-3′β,5′β,7β-トリメチル-5β,9β-エポキシオクタヒドロスピロ[2H-フロ[3,2-b]オキソシン-2,2′-ピペリジン]-5-イル]メチル]-7-オクテン-2-オン
  • 2-(トリメチルシリル)エチル (1'R,2S,2'R,3S,5R,6'R,8'S,10'S)-8'-[(3S,4S,6R,8S)-8-[(2R,3aS,5S,5'R,6S,6''S,7aS)-6''-[5-(アセチルオキシ)ペンタ-1-エン-1-イル]-6-メチル-2,3,3a,5'',6,6'',7,7a-オクタヒドロジスピロ[フロ[3,2-b]ピラン-5,2'-オキソラン-5',2''-ピラン]-2-イル]-3-(アセチルオキシ)-8-ヒドロキシ-4,6-ジメチル-2-メチリデン-7-オキソオクチル]-3,5,10'-トリメチル-3',7',12'-トリオキサスピロ[ピペリジン-2,4'-トリシクロ[6.3.1.02,6]ドデカン]-1-カルボキシラート
  • 2-(trimethylsilyl)ethyl (1'R,2S,2'R,3S,5R,6'R,8'S,10'S)-8'-[(3S,4S,6R,8S)-8-[(2R,3aS,5S,5'R,6S,6''S,7aS)-6''-[5-(acetyloxy)pent-1-en-1-yl]-6-methyl-2,3,3a,5'',6,6'',7,7a-octahydrodispiro[furo[3,2-b]pyran-5,2'-oxolane-5',2''-pyran]-2-yl]-3-(acetyloxy)-8-hydroxy-4,6-dimethyl-2-methylidene-7-oxooctyl]-3,5,10'-trimethyl-3',7',12'-trioxaspiro[piperidine-2,4'-tricyclo[6.3.1.02,6]dodecane]-1-carboxylate
Other name (1):
  • (1S,3R,5S,6S)-1-Hydroxy-1-[(2R,5S,5′R)-6β-methyl-6′′β-(5-acetoxy-1-pentenyl)-2,3,3′,3aβ,4′,5′′,6,6′′,7,7aβ-decahydrodispiro[5H-furo[3,2-b]pyran-5,2′(5′H)-furan-5′,2′′-[2H]pyran]-2β-yl]-3,5-dimethyl-6-acetoxy-7-[[(2S,3aα,9aα)-1′-[2-(trimethylsilyl)ethoxycarbonyl]-3′β,5′β,7β-trimethyl-5β,9β-epoxyoctahydrospiro[2H-furo[3,2-b]oxocin-2,2′-piperidine]-5-yl]methyl]-7-octene-2-one
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