Chem
J-GLOBAL ID：201407043868421011   Nikkaji number：J3.329.287B

Herkinorin

ヘルキノリン
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： C28H30O8
Molecular formula furigana： C28-H30-O8
Molecular weight： 494.540
InChI： InChI=1S/C28H30O8/c1-27-11-9-18-26(32)36-21(17-10-12-34-15-17)14-28(18,2)23(27)22(29)20(13-19(27)25(31)33-3)35-24(30)16-7-5-4-6-8-16/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3/t18-,19-,20-,21-,23-,27-,28-/m0/s1
InChI key： PYDQMXRFUVDCHC-XAGHGKQISA-N
SMILES： COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Systematic name  (3)：
  • 2β-(3-フリル)-4,10-ジオキソ-6aα,10bα-ジメチル-9α-(ベンゾイルオキシ)-1,2,4aβ,5,6,6a,7,8,9,10,10aβ,10b-ドデカヒドロ-4H-ナフト[2,1-c]ピラン-7α-カルボン酸メチル
  • メチル (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(ベンゾイルオキシ)-2-(フラン-3-イル)-6a,10b-ジメチル-4,10-ジオキソ-ドデカヒドロ-1H-ナフト[2,1-c]ピラン-7-カルボキシラート
  • methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(benzoyloxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-naphtho[2,1-c]pyran-7-carboxylate
Other name (3)：
  • 2β-(3-Furyl)-4,10-dioxo-6aα,10bα-dimethyl-9α-(benzoyloxy)-1,2,4aβ,5,6,6a,7,8,9,10,10aβ,10b-dodecahydro-4H-naphtho[2,1-c]pyran-7α-carboxylic acid methyl ester
  • Herkinorin
  • ヘルキノリン
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