(3β)-3-Hydroxylanosta-8,15-Diene-30-Carboxylic Acid

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Formula C29H22O3
IUPAC Name 2-[(3s,5r,10s,13r,14r,17s)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,17-octahydro-1h-cyclopenta[a]phenanthren-14-yl]acetic acid
Molecular Mass 418.483 g·mol−1
Heat of Formation -828.7 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 628.78 Å 3
Surface Area 478.19 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 4.01 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(3s,5r,10s,13r,14r,17s)-17-[(1r)-1,5-dimethylhexyl]-3-hydroxy-4,4,10,13-tetramethyl-2,3,5,6,7,11,12,17-octahydro-1h-cyclopenta[a]phenanthren-14-yl]acetic acid
  • 2-[(3s,5r,10s,13r,14r,17s)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,17-octahydro-1h-cyclopenta[a]phenanthren-14-yl]ethanoic acid
InChIKey AUNLCWKHCZCMHW-HZAPIMJMSA-N
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