Chem
J-GLOBAL ID：201607015698101205   Nikkaji number：J3.489.867G

Nudibaccatumin A

ヌジバッカツミン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： C19H24O2
Molecular formula furigana： C19-H24-O2
Molecular weight： 284.399
InChI： InChI=1S/C19H24O2/c1-4-5-12-7-9-17(20)18(21)15(12)10-13-6-8-14-11-16(13)19(14,2)3/h4,6-7,9,14,16,20-21H,1,5,8,10-11H2,2-3H3/t14-,16-/m0/s1
InChI key： WWJZGILFBSOEFG-HOCLYGCPSA-N
SMILES： CC1(C)[C@@H]2C[C@H]1C(=CC2)Cc1c(CC=C)ccc(O)c1O
Systematic name  (3)：
  • 3-[[(1R,5S)-6,6-ジメチルビシクロ[3.1.1]ヘプタ-2-エン-2-イル]メチル]-4-アリルベンゼン-1,2-ジオール
  • 3-{[(1R,5S)-6,6-ジメチルビシクロ[3.1.1]ヘプタ-2-エン-2-イル]メチル}-4-(プロパ-2-エン-1-イル)ベンゼン-1,2-ジオール
  • 3-{[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-4-(prop-2-en-1-yl)benzene-1,2-diol
Other name (5)：
  • 3-[[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hepta-2-ene-2-yl]methyl]-4-allylbenzene-1,2-diol
  • ヌジバッカツミンA
  • Nudibaccatumin A
  • (-)-ヌジバッカツミンA
  • (-)-Nudibaccatumin A
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