(2Z,6R)-6-[(3R,3Ar,6S,7S,9Br)-7-Isopropenyl-6-(3-Methoxy-3-Oxopropyl)-3A,9B-Dimethyl-2,3,3A,4,5,6,7,8,9,9B-Decahydro-1H-Cyclopenta[A]Naphthalen-3-Yl]-2-Methyl-2-Heptenoic Acid

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Properties Simple | Detailed

Formula C30H46O4
IUPAC Name (z,6r)-6-[(3r,3ar,6s,7s,9br)-7-isopropenyl-6-(3-methoxy-3-oxo-propyl)-3a,9b-dimethyl-2,3,4,5,6,7,8,9-octahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-methyl-hept-2-enoic acid
Molecular Mass 470.684 g·mol−1
Heat of Formation -915.1 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 623.81 Å 3
Surface Area 466.71 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (z,6r)-6-[(3r,3ar,6s,7s,9br)-6-(3-methoxy-3-oxo-propyl)-3a,9b-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,9-octahydro-1h-cyclopenta[h]naphthalen-3-yl]-2-methyl-hept-2-enoic acid
  • (z,6r)-6-[(3r,3ar,6s,7s,9br)-7-isopropenyl-6-(3-keto-3-methoxy-propyl)-3a,9b-dimethyl-2,3,4,5,6,7,8,9-octahydro-1h-cyclopenta[h]naphthalen-3-yl]-2-methyl-hept-2-enoic acid
  • (z,6r)-6-[(3r,3ar,6s,7s,9br)-7-isopropenyl-6-(3-methoxy-3-oxo-propyl)-3a,9b-dimethyl-2,3,4,5,6,7,8,9-octahydro-1h-cyclopenta[h]naphthalen-3-yl]-2-methyl-hept-2-enoic acid
  • (z,6r)-6-[(3r,3ar,6s,7s,9br)-7-isopropenyl-6-(3-methoxy-3-oxopropyl)-3a,9b-dimethyl-2,3,4,5,6,7,8,9-octahydro-1h-cyclopenta[h]naphthalen-3-yl]-2-methylhept-2-enoic acid
CAS Number(s)
  • 116963-87-2
InChIKey UPSFXEHDOPIMAJ-ISZOBLOUSA-N
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