Chem
J-GLOBAL ID：200907083214202290   Nikkaji number：J776.665C

Motrilin

モトリリン
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： C37H66O7
Molecular formula furigana： C37-H66-O7
Molecular weight： 622.928
InChI： InChI=1S/C37H66O7/c1-3-4-13-19-30(38)20-16-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-15-12-10-8-6-5-7-9-11-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30-,31+,32-,33+,34+,35+,36+/m0/s1
InChI key： XZNOZEYKFBKGEY-AUDZWCKFSA-N
SMILES： CCCCC[C@H](O)CCCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O
Systematic name  (3)：
  • (2R,2′R,5R,5′R)-オクタヒドロ-5-[(1R)-1-ヒドロキシ-13-[[(S)-2-オキソ-5-メチル-2,5-ジヒドロフラン]-3-イル]トリデシル]-5′-[(1S,6S)-1,6-ジヒドロキシウンデシル]-2,2′-ビフラン
  • (5S)-3-[(13R)-13-[(2R,2'R,5R,5'R)-5'-[(1S,6S)-1,6-ジヒドロキシウンデシル]-[2,2'-ビオキソラン]-5-イル]-13-ヒドロキシトリデシル]-5-メチル-2,5-ジヒドロフラン-2-オン
  • (5S)-3-[(13R)-13-[(2R,2'R,5R,5'R)-5'-[(1S,6S)-1,6-dihydroxyundecyl]-[2,2'-bioxolan]-5-yl]-13-hydroxytridecyl]-5-methyl-2,5-dihydrofuran-2-one
Other name (3)：
  • モトリリン
  • Motrilin
  • (2R,2′R,5R,5′R)-Octahydro-5-[(1R)-1-hydroxy-13-[[(S)-2-oxo-5-methyl-2,5-dihydrofuran]-3-yl]tridecyl]-5′-[(1S,6S)-1,6-dihydroxyundecyl]-2,2′-bifuran
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