Chem
J-GLOBAL ID：200907057559019188   Nikkaji number：J276.644B

Mycalamide B

ミカラミドB
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： C25H43NO10
Molecular formula furigana： C25-H43-N-O10
Molecular weight： 517.616
InChI： InChI=1S/C25H43NO10/c1-13-10-25(32-8,36-15(3)14(13)2)20(28)22(29)26-23-19-18(33-12-34-23)21(31-7)24(4,5)17(35-19)9-16(11-27)30-6/h14-21,23,27-28H,1,9-12H2,2-8H3,(H,26,29)/t14-,15-,16+,17-,18+,19+,20-,21-,23+,25-/m1/s1
InChI key： AAABMNXUOFPYQK-GRMLSQNXSA-N
SMILES： CO[C@H](CO)C[C@H]1O[C@@H]2[C@@H](NC(=O)[C@@H](O)[C@]3(CC(=C)[C@@H](C)[C@@H](C)O3)OC)OCO[C@@H]2[C@@H](OC)C1(C)C
Systematic name  (3)：
  • (4S)-4,4aα,6,7,8,8aα-ヘキサヒドロ-6α-[(2S)-3-ヒドロキシ-2-メトキシプロピル]-4α-[[(2S)-2-ヒドロキシ-2-[[(2R)-テトラヒドロ-2-メトキシ-4-メチレン-5β,6β-ジメチル-4H-ピラン]-2β-イル]アセチル]アミノ]-8α-メトキシ-7,7-ジメチルピラノ[3,2-d]-1,3-ジオキシン
  • (2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2S)-3-ヒドロキシ-2-メトキシプロピル]-8-メトキシ-7,7-ジメチル-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン-4-イル]-2-ヒドロキシ-2-[(2R,5R,6R)-2-メトキシ-5,6-ジメチル-4-メチリデンオキサン-2-イル]アセトアミド
  • (2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2S)-3-hydroxy-2-methoxypropyl]-8-methoxy-7,7-dimethyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
Other name (4)：
  • ミカラミドB
  • マイカラミドB
  • Mycalamide B
  • (4S)-4,4aα,6,7,8,8aα-Hexahydro-6α-[(2S)-3-hydroxy-2-methoxypropyl]-4α-[[(2S)-2-hydroxy-2-[[(2R)-tetrahydro-2-methoxy-4-methylene-5β,6β-dimethyl-4H-pyran]-2β-yl]acetyl]amino]-8α-methoxy-7,7-dimethylpyrano[3,2-d]-1,3-dioxin
CAS registry number： 124512-46-5
KEGG COMPOUND： C17009
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