Chem
J-GLOBAL ID：201707006481803811   Nikkaji number：J3.616.607J

Frutescone C

フルテスコンC
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： C29H44O3
Molecular formula furigana： C29-H44-O3
Molecular weight： 440.668
InChI： InChI=1S/C29H44O3/c1-16(2)22-21-12-11-17(3)19-15-27(5,6)20(19)13-14-29(21,9)32-24-18(4)26(31-10)28(7,8)25(30)23(22)24/h16,19-22H,3,11-15H2,1-2,4-10H3/t19-,20-,21+,22-,29-/m1/s1
InChI key： WVWNYBQRXXWDLW-LGSPEHIXSA-N
SMILES： COC1=C(C)C2=C([C@H](C(C)C)[C@@H]3CCC(=C)[C@H]4CC(C)(C)[C@@H]4CC[C@@]3(C)O2)C(=O)C1(C)C
Systematic name  (3)：
  • 2β,6,6,8-テトラメチル-2,3β-[エチレン(4,4-ジメチルシクロブタン-1α,2β-ジイル)(1-メチレントリメチレン)]-4β-イソプロピル-7-メトキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-5(6H)-オン
  • (1R,4R,7S,11S,12R)-16-メトキシ-1,5,5,15,15,17-ヘキサメチル-8-メチリデン-12-(プロパン-2-イル)-19-オキサテトラシクロ[9.8.0.04,7.013,18]ノナデカ-13(18),16-ジエン-14-オン
  • (1R,4R,7S,11S,12R)-16-methoxy-1,5,5,15,15,17-hexamethyl-8-methylidene-12-(propan-2-yl)-19-oxatetracyclo[9.8.0.04,7.013,18]nonadeca-13(18),16-dien-14-one
Other name (3)：
  • 2β,6,6,8-Tetramethyl-2,3β-[ethylene(4,4-dimethylcyclobutane-1α,2β-diyl)(1-methylenetrimethylene)]-4β-isopropyl-7-methoxy-3,4-dihydro-2H-1-benzopyran-5(6H)-one
  • フルテスコンC
  • Frutescone C
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