(3α,5α,12Beta,24Z)-3-Hydroxy-4,4,12,14-Tetramethyl-18-Norcholesta-7,13(17),24-Trien-26-Oic Acid

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Properties Simple | Detailed

Formula C30H46O3
IUPAC Name (z,6r)-6-[(3r,5r,9r,10r,12r,14s)-3-hydroxy-4,4,10,12,14-pentamethyl-1,2,3,5,6,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid
Molecular Mass 454.684 g·mol−1
Heat of Formation -757.6 ± 16.7 kJ·mol−1
Dipole Moment 1.75 ± 1.08 D
Volume 604.47 Å 3
Surface Area 457.22 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2z,6r)-6-[(3alpha,9xi,12beta)-3-hydroxy-4,4,10,12,14-pentamethylgona-7,13(17)-dien-17-yl]-2-methylhept-2-enoic acid
  • (z,6r)-6-[(3r,5r,9r,10r,12r,14s)-3-hydroxy-4,4,10,12,14-pentamethyl-1,2,3,5,6,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid
  • (z,6r)-6-[(3r,5r,9r,10r,12r,14s)-3-hydroxy-4,4,10,12,14-pentamethyl-1,2,3,5,6,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
  • 2-heptenoic acid, 6-[(3alpha,9xi,12beta)-3-hydroxy-4,4,10,12,14-pentamethylgona-7,13(17)-dien-17-yl]-2-methyl-, (2z,6r)-
  • 3alpha-hydroxy-18(13->12beta)abeo lanostan-7(8),13(17),24(z)-trien-26-oic acid
  • 6-(3-hydroxy-4,4,10,12,14-pentamethyl-2,3,4,5,6,9,10,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl)-2-methyl-hept-2-enoic acid
  • ananosic acid a
InChIKey KNYVORLBUHFUJF-MZOBKSHTSA-N
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