Chem
J-GLOBAL ID：200907096721212006   Nikkaji number：J14.428B

Antioside

アンチオシド
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： C29H44O10
Molecular formula furigana： C29-H44-O10
Molecular weight： 552.661
InChI： InChI=1S/C29H44O10/c1-14-22(32)23(33)24(34)25(38-14)39-16-4-7-26(2)19-11-20(30)27(3)17(15-10-21(31)37-13-15)6-9-29(27,36)18(19)5-8-28(26,35)12-16/h10,14,16-20,22-25,30,32-36H,4-9,11-13H2,1-3H3/t14-,16-,17+,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1
InChI key： VRDSLDHRGHMDAC-KDCJLTIJSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4C[C@@H](O)[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3β-[(6-デオキシ-α-L-マンノピラノシル)オキシ]-5,12β,14-トリヒドロキシ-5β,14β-カルダ-20(22)-エノリド
  • 4-[(1R,3aS,3bR,5aS,7S,9aR,9bS,11R,11aS)-3a,5a,11-トリヒドロキシ-9a,11a-ジメチル-7-{[(2R,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]-2,5-ジヒドロフラン-2-オン
  • 4-[(1R,3aS,3bR,5aS,7S,9aR,9bS,11R,11aS)-3a,5a,11-trihydroxy-9a,11a-dimethyl-7-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
Other name (3)：
  • アンチオシド
  • Antioside
  • 3β-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5,12β,14-trihydroxy-5β,14β-card-20(22)-enolide
CAS registry number： 3981-16-6
KEGG COMPOUND： C08848
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