(3β,16Alpha)-3,16-Dihydroxy-24-Methylenelanosta-7,9(11)-Dien-21-Oic Acid

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Formula C29H22O4
IUPAC Name (2r)-2-[(3s,5r,10s,13r,14r,16r,17r)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
Molecular Mass 434.483 g·mol−1
Heat of Formation -959.3 ± 16.7 kJ·mol−1
Dipole Moment 1.43 ± 1.08 D
Volume 635.89 Å 3
Surface Area 472.37 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 3.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(3s,5r,10s,13r,14r,16r,17r)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-5-isopropyl-hex-5-enoic acid
  • (2r)-2-[(3s,5r,10s,13r,14r,16r,17r)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylene-heptanoic acid
  • (2r)-2-[(3s,5r,10s,13r,14r,16r,17r)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methyleneheptanoic acid
  • (2r)-2-[(3s,5r,10s,13r,14r,16r,17r)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylidene-heptanoic acid
InChIKey LADJWZMBZBVBSB-YEXRKOARSA-N
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