Chem
J-GLOBAL ID：200907074839056650   Nikkaji number：J53.673C

Malloside

マロシド
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： C29H44O9
Molecular formula furigana： C29-H44-O9
Molecular weight： 536.662
InChI： InChI=1S/C29H44O9/c1-14-23(32)24(33)25(34)26(37-14)38-17-6-8-27(2)16(11-17)4-5-19-22(27)20(30)12-28(3)18(7-9-29(19,28)35)15-10-21(31)36-13-15/h10,14,16-20,22-26,30,32-35H,4-9,11-13H2,1-3H3/t14-,16-,17-,18+,19+,20-,22+,23-,24+,25+,26-,27-,28+,29-/m0/s1
InChI key： HFMLTKBZNAPPNY-CZJLSCGSSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3[C@@H](O)C[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)C2)[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]-11β,14-ジヒドロキシ-5α-カルダ-20(22)-エノリド
  • 4-[(1R,3aS,3bR,5aS,7S,9aS,9bS,10S,11aR)-3a,10-ジヒドロキシ-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,9aS,9bS,10S,11aR)-3a,10-dihydroxy-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)：
  • Malloside
  • マロシド
  • 3β-[(6-Deoxy-α-L-mannopyranosyl)oxy]-11β,14-dihydroxy-5α-card-20(22)-enolide
CAS registry number： 17489-40-6
Regulation number (1)：
  • ON8250000
KEGG COMPOUND： C17522
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