(3β,16Alpha)-3-Acetoxy-16-Hydroxy-24-Methylenelanost-8-En-21-Oic Acid

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Properties Simple | Detailed

Formula C33H52O5
IUPAC Name (2r)-2-[(3s,5r,10s,13r,14r,16r,17r)-3-acetyloxy-16-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
Molecular Mass 528.763 g·mol−1
Heat of Formation -1248.5 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 690.28 Å 3
Surface Area 514.15 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(3s,5r,10s,13r,14r,16r,17r)-3-acetoxy-16-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,16r,17r)-3-acetoxy-16-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,16r,17r)-3-acetoxy-16-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,16r,17r)-3-acetyloxy-16-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
  • lanost-8-en-21-oic acid, 3-(acetyloxy)-16-hydroxy-24-methylene-, (3beta,16alpha)-
InChIKey VDYCLYGKCGVBHN-DRCQUEPLSA-N
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