Chem
J-GLOBAL ID:200907025863882527   Nikkaji number:J2.397.183F

(2R)-2α-(2-O,3-O,4-O-Trimethyl-6-deoxy-α-L-mannopyranosyloxy)-1,2,3,3aα,5aα,6,8aα,8bβ-octahydro-7-[(2R,3S,7S)-2-methyl-3-[4-(dimethylamino)-2,3,4,6-tetradeoxy-α-D-glucopyranosyloxy]-7-hydroxynonanoyl]-as-indacene-6α-acetic acid 6,7-lactone

(2R)-2α-(2-O,3-O,4-O-トリメチル-6-デオキシ-α-L-マンノピラノシルオキシ)-1,2,3,3aα,5aα,6,8aα,8bβ-オクタヒドロ-7-[(2R,3S,7S)-2-メチル-3-[4-(ジメチルアミノ)-2,3,4,6-テトラデオキシ-α-D-グルコピラノシルオキシ]-7-ヒドロキシノナノイル]-as-インダセン-6α-酢酸6,7-ラクトン
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: C41H65NO10
Molecular formula furigana: C41-H65-N-O10
Molecular weight: 731.968
InChI: InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36-,38+,39-,40-,41+/m1/s1
InChI key: SRJQTHAZUNRMPR-JSSAUCITSA-N
SMILES: CC[C@H]1CCC[C@H](O[C@@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC
Systematic name  (3):
  • (2R)-2α-(2-O,3-O,4-O-トリメチル-6-デオキシ-α-L-マンノピラノシルオキシ)-1,2,3,3aα,5aα,6,8aα,8bβ-オクタヒドロ-7-[(2R,3S,7S)-2-メチル-3-[4-(ジメチルアミノ)-2,3,4,6-テトラデオキシ-α-D-グルコピラノシルオキシ]-7-ヒドロキシノナノイル]-as-インダセン-6α-酢酸6,7-ラクトン
  • (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-13-{[(2S,5S,6R)-5-(ジメチルアミノ)-6-メチルオキサン-2-イル]オキシ}-9-エチル-14-メチル-2-{[(2R,3R,4R,5S,6S)-3,4,5-トリメトキシ-6-メチルオキサン-2-イル]オキシ}-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-インダセノ[3,2-d]オキサシクロドデカン-7,15-ジオン
  • (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-13-{[(2S,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-2-{[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione
Other name (1):
  • (2R)-2α-(2-O,3-O,4-O-Trimethyl-6-deoxy-α-L-mannopyranosyloxy)-1,2,3,3aα,5aα,6,8aα,8bβ-octahydro-7-[(2R,3S,7S)-2-methyl-3-[4-(dimethylamino)-2,3,4,6-tetradeoxy-α-D-glucopyranosyloxy]-7-hydroxynonanoyl]-as-indacene-6α-acetic acid 6,7-lactone
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