Chem
J-GLOBAL ID：200907083132861040   Nikkaji number：J12.074J

Neriifolin

ネリイホリン
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： C30H46O8
Molecular formula furigana： C30-H46-O8
Molecular weight： 534.690
InChI： InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28-,29+,30-/m0/s1
InChI key： VPUNMTHWNSJUOG-BAOINKAISA-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]3CC[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)C2)[C@H]1O
Systematic name  (7)：
  • 3β-[(3-O-メチル-6-デオキシ-α-L-グルコピラノシル)オキシ]-14-ヒドロキシ-5β-カルダ-20(22)-エノリド
  • 3β-[(6-デオキシ-3-O-メチル-α-L-グルコピラノシル)オキシ]-14-ヒドロキシ-5β-カルダ-20(22)-エノリド
  • 3β-(3-O-メチル-6-デオキシ-α-L-グルコピラノシルオキシ)-14β-ヒドロキシ-5β-カルダ-20(22)-エノリド
  • (17R)-3β-(3-O-メチル-6-デオキシ-α-L-グルコピラノシルオキシ)-14-ヒドロキシ-5β,14β-カルダ-20(22)-エノリド
  • 3β-(3-O-メチル-6-デオキシ-α-L-グルコピラノシルオキシ)-14-ヒドロキシ-5β,14β-カルダ-20(22)-エノリド
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Other name (11)：
  • ネリイホリン
  • Neriifolin
  • 3β-[(3-O-Methyl-6-deoxy-α-L-glucopyranosyl)oxy]-14-hydroxy-5β-card-20(22)-enolide
  • 3β-[(6-Deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxy-5β-card-20(22)-enolide
  • 3β-(3-O-Methyl-6-deoxy-α-L-glucopyranosyloxy)-14β-hydroxy-5β-carda-20(22)-enolide
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CAS registry number： 466-07-9
Regulation number (2)：
  • FH4906100
  • EINECS2073725
KEGG COMPOUND： C08876
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