Chem
J-GLOBAL ID：200907037210823922   Nikkaji number：J1.855.648K

Penninervin

ペンニネルビン
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： C20H28O6
Molecular formula furigana： C20-H28-O6
Molecular weight： 364.438
InChI： InChI=1S/C20H28O6/c1-11(2)10-14(22)26-20(5)12-6-8-18(3)13(21)7-9-19(4,24)16(18)15(12)25-17(20)23/h7,9-10,12-13,15-16,21,24H,6,8H2,1-5H3/t12-,13-,15-,16+,18-,19-,20+/m1/s1
InChI key： LFFOEDOAFGUKGN-IUPPOCIOSA-N
SMILES： CC(=CC(=O)O[C@@]1(C)[C@@H]2CC[C@]3(C)[C@H](O)C=C[C@@](C)(O)[C@H]3[C@@H]2OC1=O)C
Systematic name  (3)：
  • (3S)-2,3,3aβ,4,5,5a,6,9,9aα,9bβ-デカヒドロ-2-オキソ-3,5aβ,9-トリメチルナフト[1,2-b]フラン-3β,6α,9β-トリオール3-(3-メチル-2-ブテノアート)
  • (3S,3aR,5aS,6R,9R,9aR,9bR)-6,9-ジヒドロキシ-3,5a,9-トリメチル-2-オキソ-2H,3H,3aH,4H,5H,5aH,6H,9H,9aH,9bH-ナフト[1,2-b]フラン-3-イル 3-メチルブタ-2-エノアート
  • (3S,3aR,5aS,6R,9R,9aR,9bR)-6,9-dihydroxy-3,5a,9-trimethyl-2-oxo-2H,3H,3aH,4H,5H,5aH,6H,9H,9aH,9bH-naphtho[1,2-b]furan-3-yl 3-methylbut-2-enoate
Other name (3)：
  • (3S)-2,3,3aβ,4,5,5a,6,9,9aα,9bβ-Decahydro-2-oxo-3,5aβ,9-trimethylnaphtho[1,2-b]furan-3β,6α,9β-triol 3-(3-methyl-2-butenoate)
  • Penninervin
  • ペンニネルビン
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