Methyl (1S,2R,3R,4S,5S,8R,9S,10R,13R,15S,16S)-10-Acetoxy-3,4-Dihydroxy-1,16-Dimethyl-11,19-Dioxo-6,12,20-Trioxahexacyclo[13.7.0.0~2,8~.0~5,9~.0~8,13~.0~17,21~]Docosa-17,21-Diene-5-Carboxylate

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Formula C25H28O11
IUPAC Name methyl (1s,2r,3r,4s,5s,8r,9s,10r,13r,15s,16s)-10-acetoxy-3,4-dihydroxy-1,16-dimethyl-11,19-dioxo-6,12,20-trioxahexacyclo[13.7.0.0 2,8 .0 5,9 .0 8,13 .0 17,21 ]docosa-17,21-diene-5-carboxylate
Molecular Mass 504.483 g·mol−1
Heat of Formation -669.5 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 544.11 Å 3
Surface Area 408.95 Å 2
Point Group Symmetry C1
Synonyms
  • 3,13-ethano-1h,10h-furo(3,4-c)furo(2',3':6,7)naphtho(2,3-b)pyran-3(3ah)-carboxylic acid, 4-(acetyloxy)-4,5,6a,7,7a,8,12a,13-octahydro-14,15-dihydroxy-8,12a-dimethyl-5,10-dioxo-, methyl ester, (3s-(3-alpha,3a-alpha,4-alpha,6a-alpha,7a-beta,8-beta,12a-alpha,13-alpha,13as*,14s*,15r*))-
  • new quassinoid sergeolide
  • sergeolide
CAS Number(s)
  • 82290-17-3
InChIKey ZZKFDOQILIXHHH-OKNMSMBGSA-N
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