(24S)-24,25-Dihydroxy-3-Oxolanost-8-En-21-Oic Acid

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Properties Simple | Detailed

Formula C30H42O5
IUPAC Name (2r,5s)-5,6-dihydroxy-6-methyl-2-[(5r,10s,13r,14r,17r)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
Molecular Mass 482.651 g·mol−1
Heat of Formation -1258.7 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 633.11 Å 3
Surface Area 476.28 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 4.00 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,5s)-5,6-dihydroxy-2-[(5r,10s,13r,14r,17r)-3-keto-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-enanthic acid
InChIKey GCGLPSVDVGXRFN-AMKDLFIQSA-N
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Elements H C O