(3S)-5-{[(1S,6R)-2,5-Dioxo-6-{[(1S,4As,8As)-5,5,8A-Trimethyl-2-Methylenedecahydro-1-Naphthalenyl]Methyl}-7-Oxabicyclo[4.1.0]Hept-3-En-3-Yl]Methoxy}-3-Hydroxy-3-Methyl-5-Oxopentanoic Acid

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Properties Simple | Detailed

Formula C28H38O8
IUPAC Name (3s)-5-[[(1s,6r)-6-[[(1s,4as,8as)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]methyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methoxy]-3-methyl-3-oxido-5-oxo-pentanoate
Molecular Mass 502.597 g·mol−1
Heat of Formation -317.1 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 621.66 Å 3
Surface Area 438.99 Å 2
Point Group Symmetry C1
Synonyms
  • (3s)-5-[[(1r,6s)-1-[[(1s,4as,8as)-5,5,8a-trimethyl-2-methylene-1-decalinyl]methyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-4-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
  • (3s)-5-[[(1r,6s)-1-[[(1s,4as,8as)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]methyl]-2,5-diketo-7-oxabicyclo[4.1.0]hept-3-en-4-yl]methoxy]-3-hydroxy-5-keto-3-methyl-valeric acid
  • (3s)-5-[[(1r,6s)-1-[[(1s,4as,8as)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]methyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-4-yl]methoxy]-3-hydroxy-3-methyl-5-oxo-pentanoic acid
  • (3s)-5-[[(1r,6s)-1-[[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]methyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-4-yl]methoxy]-3-hydroxy-3-methyl-5-oxo-pentanoic acid
  • (3s)-5-[[(1r,6s)-1-[[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]methyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-4-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
InChIKey TZHODXJMZGQSQM-PWMRZZKKSA-N
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