3,4-Secodammara-4(28),24-Dien-3-Oic Acid, 20-Hydroxy-

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Formula C30H50O3
IUPAC Name 3-[(3s,3ar,5ar,6s,7s,9ar,9br)-3-[(1s)-1-hydroxy-1-methyl-3-[(1r)-2-methylenecyclopropyl]propyl]-7-isopropenyl-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
Molecular Mass 458.716 g·mol−1
Heat of Formation -866.2 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 620.32 Å 3
Surface Area 475.49 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 4.04 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(3s,3ar,5ar,6s,7s,9ar,9br)-3-[(1s)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-7-isopropenyl-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[f]naphthalen-6-yl]propanoic acid
  • 3-[(3s,3ar,5ar,6s,7s,9ar,9br)-3-[(1s)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-7-isopropenyl-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[f]naphthalen-6-yl]propionic acid
  • 3-[(3s,3ar,5ar,6s,7s,9ar,9br)-3-[(1s)-1-hydroxy-1,5-dimethylhex-4-enyl]-7-isopropenyl-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[f]naphthalen-6-yl]propanoic acid
  • 3-[(3s,3ar,5ar,6s,7s,9ar,9br)-3-[(2s)-2-hydroxy-6-methyl-hept-5-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[f]naphthalen-6-yl]propanoic acid
  • 3-[(3s,3ar,5ar,6s,7s,9ar,9br)-3-[(2s)-2-hydroxy-6-methylhept-5-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[f]naphthalen-6-yl]propanoic acid
InChIKey SITSHJMXTJRDSK-HPNZNPLMSA-N
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