Chem
J-GLOBAL ID：201107026940362854   Nikkaji number：J2.989.860J

Ukulactone A

ウクラクトン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： C29H38O5
Molecular formula furigana： C29-H38-O5
Molecular weight： 466.618
InChI： InChI=1S/C29H38O5/c1-18(16-27(6)25-21(4)24(30)29(27,8)26(31)34-25)14-12-10-9-11-13-15-19(2)23-20(3)17-28(7,32)22(5)33-23/h9-17,21-23,25,32H,1-8H3/b10-9+,13-11+,14-12+,18-16+,19-15+/t21-,22+,23-,25-,27+,28+,29-/m0/s1
InChI key： RHXSRISAJFLIHS-WQEIKUNISA-N
SMILES： C[C@@H]1[C@@H]2OC(=O)[C@](C)(C1=O)[C@]2(C)/C=C(\C)/C=C/C=C/C=C/C=C(\C)/[C@@H]1O[C@H](C)[C@](C)(O)C=C1C
Systematic name  (3)：
  • (1S,4S,7S)-4,6α,7-トリメチル-7-[(1E,3E,5E,7E,9E)-10-[(2S)-3,5α,6β-トリメチル-5-ヒドロキシ-5,6-ジヒドロ-2H-ピラン-2β-イル]-2-メチル-1,3,5,7,9-ウンデカペンタエニル]-2-オキサビシクロ[2.2.1]ヘプタン-3,5-ジオン
  • (1S,4S,6R,7S)-7-[(1E,3E,5E,7E,9E)-10-[(2S,5R,6R)-5-ヒドロキシ-3,5,6-トリメチル-5,6-ジヒドロ-2H-ピラン-2-イル]-2-メチルウンデカ-1,3,5,7,9-ペンタエン-1-イル]-4,6,7-トリメチル-2-オキサビシクロ[2.2.1]ヘプタン-3,5-ジオン
  • (1S,4S,6R,7S)-7-[(1E,3E,5E,7E,9E)-10-[(2S,5R,6R)-5-hydroxy-3,5,6-trimethyl-5,6-dihydro-2H-pyran-2-yl]-2-methylundeca-1,3,5,7,9-pentaen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione
Other name (3)：
  • (1S,4S,7S)-4,6α,7-Trimethyl-7-[(1E,3E,5E,7E,9E)-10-[(2S)-3,5α,6β-trimethyl-5-hydroxy-5,6-dihydro-2H-pyran-2β-yl]-2-methyl-1,3,5,7,9-undecapentaenyl]-2-oxabicyclo[2.2.1]heptane-3,5-dione
  • ウクラクトンA
  • Ukulactone A
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