Methyl (3α,5Beta,7α,12α,24E)-3,7,12-Trihydroxycholest-24-En-26-Oate

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Formula C28H46O5
IUPAC Name methyl (e,6r)-2-methyl-6-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]hept-2-enoate
Molecular Mass 462.662 g·mol−1
Heat of Formation -1209.0 ± 16.7 kJ·mol−1
Dipole Moment 5.90 ± 1.08 D
Volume 593.97 Å 3
Surface Area 454.41 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (e,6r)-2-methyl-6-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]hept-2-enoic acid methyl ester
  • cholest-24-en-26-oic acid, 3,7,12-trihydroxy-, methyl ester, (3alpha,5beta,7alpha,12alpha,24e)-
  • methyl (e,6r)-2-methyl-6-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]hept-2-enoate
  • methyl 3alpha,7alpha,12alpha-trihydroxy-5beta cholest-24-en-26-oate
  • methyl-3,7,12-trihydroxycholest-24-ene-26-oate
CAS Number(s)
  • 144210-47-9
InChIKey SZDHRKMCESZUCV-WKGGVHHNSA-N
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