Chem
J-GLOBAL ID：200907002553675092   Nikkaji number：J1.812.186G

Episarcotrine A

エピサルコトリンA
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： C30H45NO4
Molecular formula furigana： C30-H45-N-O4
Molecular weight： 483.693
InChI： InChI=1S/C30H45NO4/c1-21(2)16-18-31-19-17-26(29(31)33)15-9-13-23(4)11-7-10-22(3)12-8-14-24(5)20-27-28(32)25(6)30(34)35-27/h7,10-11,14,17,21-22,27,32H,8-9,12-13,15-16,18-20H2,1-6H3/b10-7+,23-11+,24-14-/t22-,27-/m1/s1
InChI key： IDSXOIOXEMBIDK-YBQSNTSBSA-N
SMILES： CC(C)CCN1CC=C(CCC/C(=C/C=C/[C@@H](C)CC/C=C(/C)\C[C@H]2OC(=O)C(=C2O)C)/C)C1=O
Systematic name  (3)：
  • (5R)-3-メチル-4-ヒドロキシ-5-[(2Z,6S,7E,9E)-2,6,10-トリメチル-13-[2,5-ジヒドロ-1-(3-メチルブチル)-2-オキソ-1H-ピロール-3-イル]-2,7,9-トリデカトリエニル]フラン-2(5H)-オン
  • 3-[(4E,6E,8S,11Z)-13-[(2R)-3-ヒドロキシ-4-メチル-5-オキソ-2,5-ジヒドロフラン-2-イル]-4,8,12-トリメチルトリデカ-4,6,11-トリエン-1-イル]-1-(3-メチルブチル)-2,5-ジヒドロ-1H-ピロール-2-オン
  • 3-[(4E,6E,8S,11Z)-13-[(2R)-3-hydroxy-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]-4,8,12-trimethyltrideca-4,6,11-trien-1-yl]-1-(3-methylbutyl)-2,5-dihydro-1H-pyrrol-2-one
Other name (3)：
  • (5R)-3-Methyl-4-hydroxy-5-[(2Z,6S,7E,9E)-2,6,10-trimethyl-13-[2,5-dihydro-1-(3-methylbutyl)-2-oxo-1H-pyrrole-3-yl]-2,7,9-tridecatrienyl]furan-2(5H)-one
  • エピサルコトリンA
  • Episarcotrine A
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