Chem
J-GLOBAL ID：200907060492413774   Nikkaji number：J1.884.062F

Rollicosin

ロリコシン
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： C22H36O6
Molecular formula furigana： C22-H36-O6
Molecular weight： 396.524
InChI： InChI=1S/C22H36O6/c1-16-14-17(22(26)27-16)15-18(23)10-8-6-4-2-3-5-7-9-11-19(24)20-12-13-21(25)28-20/h14,16,18-20,23-24H,2-13,15H2,1H3/t16-,18+,19+,20+/m0/s1
InChI key： QCRUDDMRGHFGNR-MTFMMBMASA-N
SMILES： C[C@@H]1OC(=O)C(=C1)C[C@H](O)CCCCCCCCCC[C@@H](O)[C@H]1CCC(=O)O1
Systematic name  (3)：
  • (5S)-3-[(2R,13R)-13-[(2R)-5-オキソオキソラン-2-イル]-2,13-ジヒドロキシトリデシル]-5-メチル-2(5H)-フラノン
  • (5S)-3-[(2R,13R)-2,13-ジヒドロキシ-13-[(2R)-5-オキソオキソラン-2-イル]トリデシル]-5-メチル-2,5-ジヒドロフラン-2-オン
  • (5S)-3-[(2R,13R)-2,13-dihydroxy-13-[(2R)-5-oxooxolan-2-yl]tridecyl]-5-methyl-2,5-dihydrofuran-2-one
Other name (3)：
  • (5S)-3-[(2R,13R)-13-[(2R)-5-Oxooxolane-2-yl]-2,13-dihydroxytridecyl]-5-methyl-2(5H)-furanone
  • ロリコシン
  • Rollicosin
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