Chem
J-GLOBAL ID:200907009272936215
Nikkaji number:J1.658.265D
Morusimic acid A
モルシム酸A
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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:
C24 H45 NO9
Molecular formula furigana:
C24-H45-N-O9
Molecular weight:
491.622
InChI:
InChI=1S/C24H45NO9/c1-15(27)18-12-11-16(25-18)9-7-5-3-2-4-6-8-10-17(13-20(28)29)33-24-23(32)22(31)21(30)19(14-26)34-24/h15-19,21-27,30-32H,2-14H2,1H3,(H,28,29)/t15-,16-,17+,18-,19+,21+,22-,23+,24+/m0/s1
InChI key:
FRFNBNWFTRGFNL-CWUQZJOTSA-N
SMILES:
C[C@H](O)[C@@H]1CC[C@H](CCCCCCCCC[C@H](CC(=O)O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)N1
Systematic name (3):
(3R)-3-(β-D-グルコピラノシルオキシ)-12-[(2S)-5β-[(S)-1-ヒドロキシエチル]-2β-ピロリジニル]ドデカン酸
(3R)-12-[(2S,5S)-5-[(1S)-1-ヒドロキシエチル]ピロリジン-2-イル]-3-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}ドデカン酸
(3R)-12-[(2S,5S)-5-[(1S)-1-hydroxyethyl]pyrrolidin-2-yl]-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dodecanoic acid
Other name (3):
(3R)-3-(β-D-Glucopyranosyloxy)-12-[(2S)-5β-[(S)-1-hydroxyethyl]-2β-pyrrolidinyl]dodecanoic acid
モルシム酸A
Morusimic acid A
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