Chem
J-GLOBAL ID：200907036578069300   Nikkaji number：J2.015.437C

2′-O-Acetylcerleaside A

2′-O-アセチルセルレアシドA
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： C32H46O9
Molecular formula furigana： C32-H46-O9
Molecular weight： 574.711
InChI： InChI=1S/C32H46O9/c1-17-25(35)26(37-5)27(40-18(2)33)28(39-17)41-21-7-10-30(3)20(15-21)6-12-32-13-8-22(19-14-24(34)38-16-19)31(4,29(32)36)11-9-23(30)32/h14,17,20-23,25-28,35H,6-13,15-16H2,1-5H3/t17-,20+,21-,22+,23+,25-,26+,27-,28-,30-,31+,32-/m0/s1
InChI key： IACWKTLZDGHUMH-YEDRZCFFSA-N
SMILES： CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]45CC[C@H](C6=CC(=O)OC6)[C@@](C)(CC[C@H]34)C5=O)C2)[C@H]1OC(=O)C
Systematic name  (3)：
  • 3β-(2-O-アセチル-3-O-メチル-6-デオキシ-α-L-グルコピラノシルオキシ)-14-オキソ-8,15-シクロ-14,15-セコ-5β,14β-カルダ-20(22)-エノリド
  • (2R,3S,4R,5S,6S)-2-{[(1S,4R,6S,9S,10R,13R,14R)-9,13-ジメチル-17-オキソ-14-(5-オキソ-2,5-ジヒドロフラン-3-イル)テトラシクロ[11.3.1.01,10.04,9]ヘプタデカン-6-イル]オキシ}-5-ヒドロキシ-4-メトキシ-6-メチルオキサン-3-イル アセタート
  • (2R,3S,4R,5S,6S)-2-{[(1S,4R,6S,9S,10R,13R,14R)-9,13-dimethyl-17-oxo-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[11.3.1.01,10.04,9]heptadecan-6-yl]oxy}-5-hydroxy-4-methoxy-6-methyloxan-3-yl acetate
Other name (3)：
  • 3β-(2-O-Acetyl-3-O-methyl-6-deoxy-α-L-glucopyranosyloxy)-14-oxo-8,15-cyclo-14,15-seco-5β,14β-carda-20(22)-enolide
  • 2′-O-Acetylcerleaside A
  • 2′-O-アセチルセルレアシドA
Thsaurus map：
Thesaurus Map

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