2-[(1S,4R,4As,8R,8Ar)-8,8A-Dihydroxy-4,7-Dimethyl-1,2,3,4,4A,5,8,8A-Octahydro-1-Naphthalenyl]Acrylic Acid

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Properties Simple | Detailed

Formula C15H22O4
IUPAC Name 2-[(1s,4r,4as,8r,8ar)-8,8a-dihydroxy-4,7-dimethyl-2,3,4,4a,5,8-hexahydro-1h-naphthalen-1-yl]prop-2-enoic acid
Molecular Mass 266.333 g·mol−1
Heat of Formation -802.0 ± 16.7 kJ·mol−1
Dipole Moment 2.97 ± 1.08 D
Volume 324.62 Å 3
Surface Area 269.92 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 1-naphthaleneacetic acid, 1,2,3,4,4a,5,8,8a-octahydro-8,8a-dihydroxy-4,7-dimethyl-alpha-methylene-, (1s-(1alpha,4beta,4abeta,8beta,8abeta))-
  • 2-[(1s,4r,4as,8r,8ar)-8,8a-dihydroxy-4,7-dimethyl-2,3,4,4a,5,8-hexahydro-1h-naphthalen-1-yl]acrylic acid
  • 2-[(1s,4r,4as,8r,8ar)-8,8a-dihydroxy-4,7-dimethyl-2,3,4,4a,5,8-hexahydro-1h-naphthalen-1-yl]prop-2-enoic acid
  • artemisinin b
CAS Number(s)
  • 145941-07-7
InChIKey PVBSTLWHHZPUSK-JDRMZHCHSA-N
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