(3β)-3-Hydroxylanost-7-En-30-Oic Acid

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Properties Simple | Detailed

Formula C30H50O3
IUPAC Name (3s,5r,9r,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-3-hydroxy-4,4,10,13-tetramethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-14-carboxylic acid
Molecular Mass 458.716 g·mol−1
Heat of Formation -912.0 ± 16.7 kJ·mol−1
Dipole Moment 1.03 ± 1.08 D
Volume 610.75 Å 3
Surface Area 467.56 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 4.02 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,9r,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-3-hydroxy-4,4,10,13-tetramethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-14-carboxylic acid
  • (3s,5r,9r,10r,13r,14s,17r)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-14-carboxylic acid
  • 3-hleoa
  • 3-hydroxylanost-7-en-32-oic acid
  • 3beta-hydroxylanost-7-ene-32-oic acid
  • lanost-7-en-30-oic acid, 3-hydroxy-, (3beta)-
CAS Number(s)
  • 133621-76-8
InChIKey HZKRHXFXUMNSAP-MUDSEZHOSA-N
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