Chem
J-GLOBAL ID：200907043484358347   Nikkaji number：J15.416D

Cerbertin

セルベルチン
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： C32H46O10
Molecular formula furigana： C32-H46-O10
Molecular weight： 590.710
InChI： InChI=1S/C32H46O10/c1-15-24(35)26(37-5)27(40-16(2)33)29(39-15)41-19-8-10-30(3)18(13-19)6-7-21-23(30)25-28(42-25)31(4)20(9-11-32(21,31)36)17-12-22(34)38-14-17/h12,15,18-21,23-29,35-36H,6-11,13-14H2,1-5H3/t15-,18+,19-,20+,21+,23+,24-,25-,26+,27-,28-,29-,30-,31-,32-/m0/s1
InChI key： IFNWZFVEJHHHIZ-HCUHVSISSA-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@@H]4[C@@H]3[C@@H]3O[C@@H]3[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)C2)[C@H]1OC(=O)C
Systematic name  (3)：
  • 3β-[(2-O-アセチル-6-デオキシ-3-O-メチル-α-L-グルコピラノシル)オキシ]-11α,12α-エポキシ-14-ヒドロキシ-5β-カルダ-20(22)-エノリド
  • (2R,3S,4R,5S,6S)-5-ヒドロキシ-2-{[(1S,2S,4R,5S,6R,9S,10R,13R,15S,18S)-9-ヒドロキシ-5,18-ジメチル-6-(5-オキソ-2,5-ジヒドロフラン-3-イル)-3-オキサペンタシクロ[8.8.0.02,4.05,9.013,18]オクタデカン-15-イル]オキシ}-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)-5-hydroxy-2-{[(1S,2S,4R,5S,6R,9S,10R,13R,15S,18S)-9-hydroxy-5,18-dimethyl-6-(5-oxo-2,5-dihydrofuran-3-yl)-3-oxapentacyclo[8.8.0.02,4.05,9.013,18]octadecan-15-yl]oxy}-4-methoxy-6-methyloxan-3-yl acetate
Other name (3)：
  • セルベルチン
  • Cerbertin
  • 3β-[(2-O-Acetyl-6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-11α,12α-epoxy-14-hydroxy-5β-card-20(22)-enolide
CAS registry number： 7227-00-1
KEGG COMPOUND： C08857
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