Chem
J-GLOBAL ID：200907091811457049   Nikkaji number：J580.186I

Scutellone D

スクテロンD
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： C27H34O7
Molecular formula furigana： C27-H34-O7
Molecular weight： 470.562
InChI： InChI=1S/C27H34O7/c1-24(13-12-17-14-22(29)33-16-17)19-10-11-20(28)27(4,32)26(19,3)21(15-25(24,2)31)34-23(30)18-8-6-5-7-9-18/h5-9,12-14,19-21,28,31-32H,10-11,15-16H2,1-4H3/b13-12+/t19-,20-,21+,24-,25+,26+,27+/m1/s1
InChI key： OLMPIDWZCBHRNQ-VBCSIWJFSA-N
SMILES： C[C@]1(O)C[C@H](OC(=O)c2ccccc2)[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)/C=C/C1=CC(=O)OC1
Systematic name  (3)：
  • 4-[(E)-2-[[(1R,8aβ)-4α-ベンゾイルオキシデカヒドロ-2β,5β,6α-トリヒドロキシ-1,2,4aα,5-テトラメチルナフタレン]-1β-イル]エテニル]-2(5H)-フラノン
  • (1S,3S,4R,4aR,7R,8R,8aS)-3,7,8-トリヒドロキシ-3,4,8,8a-テトラメチル-4-[(1E)-2-(5-オキソ-2,5-ジヒドロフラン-3-イル)エテニル]-デカヒドロナフタレン-1-イル ベンゾアート
  • (1S,3S,4R,4aR,7R,8R,8aS)-3,7,8-trihydroxy-3,4,8,8a-tetramethyl-4-[(1E)-2-(5-oxo-2,5-dihydrofuran-3-yl)ethenyl]-decahydronaphthalen-1-yl benzoate
Other name (7)：
  • スクテリブラクトンD
  • Scuterivulactone D
  • 4-[(E)-2-[[(1R,8aβ)-4α-Benzoyloxydecahydro-2β,5β,6α-trihydroxy-1,2,4aα,5-tetramethylnaphthalen]-1β-yl]ethenyl]-2(5H)-furanone
  • (+)-スクテリブラクトンD
  • (+)-Scuterivulactone D
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CAS registry number： 112609-09-3
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