4-Oxo-4-{[(6Ar,10Ar)-6,6,9-Trimethyl-3-Pentyl-6A,7,8,10A-Tetrahydro-6H-Benzo[C]Chromen-1-Yl]Oxy}Butanoic Acid

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Properties Simple | Detailed

Formula C25H34O5
IUPAC Name 4-[[(6ar,10ar)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]-4-oxo-butanoic acid
Molecular Mass 414.534 g·mol−1
Heat of Formation -1040.9 ± 16.7 kJ·mol−1
Dipole Moment 1.99 ± 1.08 D
Volume 529.23 Å 3
Surface Area 443.35 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(6ar,10ar)-3-amyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]-4-keto-butyric acid
  • 4-[[(6ar,10ar)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]-4-oxo-butanoic acid
  • 4-[[(6ar,10ar)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]-4-oxobutanoic acid
  • butanedioic acid, mono(6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6h-dibenzo(b,d)pyran-1-yl) ester, (6ar-trans)-
  • delta9-tetrahydrocannabinol hemisuccinate
  • delta9-tetrahydrocannabinol hemisuccinate ester
CAS Number(s)
  • 52855-15-9
InChIKey YVOODUUYDJKFDY-RTBURBONSA-N
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