20-Methylpregn-5-Ene-3β,20-Diol

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Properties Simple | Detailed

Formula C22H36O2
IUPAC Name (3s,8s,9s,10r,13s,14s,17s)-17-(1-hydroxy-1-methyl-ethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 332.520 g·mol−1
Heat of Formation -601.3 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 441.07 Å 3
Surface Area 344.45 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 1.28 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13s,14s,17s)-17-(1-hydroxy-1-methyl-ethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13s,14s,17s)-17-(1-hydroxy-1-methylethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13s,14s,17s)-17-(2-hydroxypropan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 20-methylpregn-5-ene-3,20-diol
  • 23,24-dinor-5-cholene-3-beta,20-diol
  • pregn-5-ene-3,20-diol, 20-methyl-, (3beta)-
CAS Number(s)
  • 20976-92-5
InChIKey HYQOIXCNKARMRI-SPHVDITISA-N
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