Xanthocerasic Acid

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Properties Simple | Detailed

Formula C30H46O4
IUPAC Name (2s)-2-[(4s,5r,9r,10r,13s,14s,17s)-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
Molecular Mass 470.684 g·mol−1
Heat of Formation -957.5 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 612.48 Å 3
Surface Area 464.31 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 3.94 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(4s,5r,9r,10r,13s,14s,17s)-3-keto-4,10,13,14-tetramethyl-4-methylol-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-hept-5-enoic acid
  • (2s)-2-[(4s,5r,9r,10r,13s,14s,17s)-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-hept-5-enoic acid
InChIKey VOAKMNNRISZQAG-GJFGDYKQSA-N
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