15,16-Epoxy-6B,9-Dihydroxy-8Bh-Labda-13(16),14-Dien-19-Oic Acid G-Lactone

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Properties Simple | Detailed

Formula C20H28O4
IUPAC Name 15,16-epoxy-6b,9-dihydroxy-8bh-labda-13(16),14-dien-19-oic acid g-lactone
Molecular Mass 332.434 g·mol−1
Heat of Formation -722.9 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 407.68 Å 3
Surface Area 327.05 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-naphtho(1,8-bc)furan-2-one, 6-(2-(3-furanyl)ethyl)decahydro-6-hydroxy-2a,5a,7-trimethyl-, (2as-(2aalpha,5abeta,6alpha,7alpha,8aalpha,8balpha))-
  • marrubiin
CAS Number(s)
  • 465-92-9
InChIKey HQLLRHCTVDVUJB-OBHOOXMTSA-N
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