(1S,3S,4R,4Ar,7R,8R,8As)-3,7,8-Trihydroxy-3,4,8,8A-Tetramethyl-4-[(E)-2-(5-Oxo-2,5-Dihydro-3-Furanyl)Vinyl]Decahydro-1-Naphthalenyl Benzoate

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Properties Simple | Detailed

Formula C26H22O7
IUPAC Name formaldehyde; (7e)-8-methylene-7-[2-[(5-oxotetrahydrofuran-3-ylidene)methylene]cyclopropylidene]-1-oxaspiro[2.5]oct-5-en-4-one; 2-[(2s)-oxiran-2-yl]ethynol; penta-1,3-diyne
Molecular Mass 446.449 g·mol−1
Heat of Formation -1193.3 ± 16.7 kJ·mol−1
Dipole Moment 10.01 ± 1.08 D
Volume 557.35 Å 3
Surface Area 433.18 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 2(5h)-furanone, 4-(2-(4-(benzoyloxy)decahydro-2,5,6-trihydroxy-1,2,4a,5-tetramethyl-1-naphthalenyl)ethenyl)-, (1alpha(e),2alpha,4beta,4abeta,5alpha,6beta,8aalpha)-(+)-
  • [(1s,3s,4r,4ar,7r,8r,8as)-3,7,8-trihydroxy-3,4,8,8a-tetramethyl-4-[(e)-2-(5-oxo-2h-furan-3-yl)ethenyl]-1,2,4a,5,6,7-hexahydronaphthalen-1-yl] benzoate
  • [(1s,3s,4r,4ar,7r,8r,8as)-3,7,8-trihydroxy-3,4,8,8a-tetramethyl-4-[(e)-2-(5-oxo-2h-furan-3-yl)vinyl]decalin-1-yl] benzoate
  • benzoic acid [(1s,3s,4r,4ar,7r,8r,8as)-3,7,8-trihydroxy-3,4,8,8a-tetramethyl-4-[(e)-2-(5-oxo-2h-furan-3-yl)vinyl]-1-decalinyl] ester
  • benzoic acid [(1s,3s,4r,4ar,7r,8r,8as)-3,7,8-trihydroxy-4-[(e)-2-(5-keto-2h-furan-3-yl)vinyl]-3,4,8,8a-tetramethyl-decalin-1-yl] ester
  • scuterivulactone d
CAS Number(s)
  • 112609-09-3
InChIKey OLMPIDWZCBHRNQ-VBCSIWJFSA-N
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