Chem
J-GLOBAL ID：200907058359559621   Nikkaji number：J16.913G

Tanghinin

タンギニン
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/c1-16-25(35)26(37-5)27(40-17(2)33)28(39-16)41-20-6-9-29(3)19(13-20)14-23-32(42-23)22(29)8-10-30(4)21(7-11-31(30,32)36)18-12-24(34)38-15-18/h12,16,19-23,25-28,35-36H,6-11,13-15H2,1-5H3/t16-,19-,20-,21+,22+,23-,25-,26+,27-,28-,29-,30+,31+,32+/m0/s1
InChI key： BTRWTSHCXGFFFL-NNYOWCKQSA-N
SMILES： CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](C[C@@H]4O[C@@]54[C@@H]3CC[C@]3(C)[C@H](CC[C@]53O)C3=CC(=O)OC3)C2)[C@H]1OC(=O)C
Systematic name  (4)：
  • 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]-7β,8-エポキシ-14-ヒドロキシ-5β-カルダ-20(22)-エノリド
  • 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]-7β,8-エポキシ-14-ヒドロキシ-5β,14β-カルダ-20(22)-エノリド
  • (2R,3S,4R,5S,6S)-5-ヒドロキシ-2-{[(1R,3S,5S,7S,10S,11R,14R,15R,18R)-18-ヒドロキシ-10,14-ジメチル-15-(5-オキソ-2,5-ジヒドロフラン-3-イル)-2-オキサペンタシクロ[9.7.0.01,3.05,10.014,18]オクタデカン-7-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-{[(1R,3S,5S,7S,10S,11R,14R,15R,18R)-18-hydroxy-10,14-dimethyl-15-(5-oxo-2,5-dihydrofuran-3-yl)-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-7-yl]oxy}-4-methoxy-6-methyloxan-3-yl acetate
Other name (4)：
  • タンギニン
  • Tanghinin
  • 3β-[(2-O-Acetyl-3-O-methyl-6-deoxy-α-L-glucopyranosyl)oxy]-7β,8-epoxy-14-hydroxy-5β,14β-card-20(22)-enolide
  • 3β-[(2-O-Acetyl-3-O-methyl-6-deoxy-α-L-glucopyranosyl)oxy]-7β,8-epoxy-14-hydroxy-5β-card-20(22)-enolide
CAS registry number： 25390-16-3
Regulation number (1)：
  • FH4580000
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