4-({(1R,2R,4As,5S,8As)-2-Hydroxy-1,4A-Dimethyl-6-Methylene-5-[(2E)-2-(2-Oxo-3(2H)-Furanylidene)Ethyl]Decahydro-1-Naphthalenyl}Methoxy)-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C24H32O7
IUPAC Name 4-[[(1r,2r,4as,5s,8as)-2-hydroxy-1,4a-dimethyl-6-methylene-5-[(2e)-2-(2-oxo-3-furylidene)ethyl]decalin-1-yl]methoxy]-4-oxo-butanoic acid
Molecular Mass 432.507 g·mol−1
Heat of Formation -1258.0 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 522.23 Å 3
Surface Area 414.27 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(1r,2r,4as,5s,8as)-2-hydroxy-1,4a-dimethyl-6-methylene-5-[(2e)-2-(2-oxo-3-furylidene)ethyl]-1-decalinyl]methoxy]-4-oxobutanoic acid
  • 4-[[(1r,2r,4as,5s,8as)-2-hydroxy-1,4a-dimethyl-6-methylene-5-[(2e)-2-(2-oxo-3-furylidene)ethyl]decalin-1-yl]methoxy]-4-oxo-butanoic acid
  • 4-[[(1r,2r,4as,5s,8as)-2-hydroxy-1,4a-dimethyl-6-methylidene-5-[(2e)-2-(2-oxofuran-3-ylidene)ethyl]-3,4,5,7,8,8a-hexahydro-2h-naphthalen-1-yl]methoxy]-4-oxo-butanoic acid
  • 4-[[(1r,2r,4as,5s,8as)-2-hydroxy-1,4a-dimethyl-6-methylidene-5-[(2e)-2-(2-oxofuran-3-ylidene)ethyl]-3,4,5,7,8,8a-hexahydro-2h-naphthalen-1-yl]methoxy]-4-oxobutanoic acid
  • 4-[[(1r,2r,4as,5s,8as)-2-hydroxy-5-[(2e)-2-(2-keto-3-furylidene)ethyl]-1,4a-dimethyl-6-methylene-decalin-1-yl]methoxy]-4-keto-butyric acid
  • 5-dasm
  • butanedioic acid, mono((decahydro-2-hydroxy-1,4a-dimethyl-6-methylene-5-(2-(2-oxo-3(2h)-furanylidene)ethyl)-1-naphthalenyl)methyl) ester, (1r-(1alpha,2alpha,4aalpha,5beta(e),8abeta))-
  • dehydroandrographolide 5-succinic acid monoester
CAS Number(s)
  • 138898-72-3
InChIKey IRPQVWMDMBITLK-VOFHXWKDSA-N
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