(3β)-3-Hydroxy-24-Methylenelanost-8-En-21-Oic Acid

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Properties Simple | Detailed

Formula C31H46O3
IUPAC Name (e,2r)-2-[(3s,5r,10s,13r,14r,17r)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-5-methyl-oct-5-en-7-ynoic acid
Molecular Mass 466.695 g·mol−1
Heat of Formation -856.1 ± 16.7 kJ·mol−1
Dipole Moment 1.22 ± 1.08 D
Volume 633.51 Å 3
Surface Area 471.16 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 4.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(3s,5r,10s,13r,14r,17r)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-5-isopropyl-hex-5-enoic acid
  • (2r)-2-[(3s,5r,10s,13r,14r,17r)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylene-heptanoic acid
  • (2r)-2-[(3s,5r,10s,13r,14r,17r)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methyleneheptanoic acid
  • (2r)-2-[(3s,5r,10s,13r,14r,17r)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylidene-heptanoic acid
  • (2r)-2-[(3s,5r,10s,13r,14r,17r)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
  • 3beta-hydroxy-24-methylene-8-lanostene-21-oic acid
InChIKey UGMQOYZVOPASJF-OXUZYLMNSA-N
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