Chem
J-GLOBAL ID：200907048219078911   Nikkaji number：J91.731A

Musaroside

ムサロシド
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： C30H44O10
Molecular formula furigana： C30-H44-O10
Molecular weight： 564.672
InChI： InChI=1S/C30H44O10/c1-14-22(32)25(37-4)24(34)27(39-14)40-17-7-9-28(2)16(12-17)5-6-19-21(28)23(33)26(35)29(3)18(8-10-30(19,29)36)15-11-20(31)38-13-15/h11,14,16-19,21-22,24-27,32,34-36H,5-10,12-13H2,1-4H3/t14-,16-,17+,18-,19-,21-,22+,24-,25+,26-,27?,28+,29+,30+/m1/s1
InChI key： TYVPUZUDLFQZOP-OGIYUMMOSA-N
SMILES： CO[C@H]1[C@@H](O)[C@@H](C)OC(O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3C(=O)[C@@H](O)[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)C2)[C@@H]1O
Systematic name  (3)：
  • 3β-[(6-デオキシ-3-O-メチル-D-ガラクトピラノシル)オキシ]-12β,14-ジヒドロキシ-11-オキソ-5β-カルダ-20(22)-エノリド
  • 4-[(1R,3aS,3bR,5aR,7S,9aS,9bS,11S,11aS)-7-{[(3R,4S,5S,6R)-3,5-ジヒドロキシ-4-メトキシ-6-メチルオキサン-2-イル]オキシ}-3a,11-ジヒドロキシ-9a,11a-ジメチル-10-オキソ-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,5aR,7S,9aS,9bS,11S,11aS)-7-{[(3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a,11-dihydroxy-9a,11a-dimethyl-10-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
Other name (3)：
  • Musaroside
  • ムサロシド
  • 3β-[(6-Deoxy-3-O-methyl-D-galactopyranosyl)oxy]-12β,14-dihydroxy-11-oxo-5β-card-20(22)-enolide
KEGG COMPOUND： C08875
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