(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethylhexadecahydrospiro[Cyclopenta[A]Phenanthrene-3,2'-Oxiran]-17-Yl]Ethanol

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Properties Simple | Detailed

Formula C22H36O2
IUPAC Name (1r)-1-[(3s,5s,8r,9s,10s,13s,14s,17s)-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-oxirane]-17-yl]ethanol
Molecular Mass 332.520 g·mol−1
Heat of Formation -501.6 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 442.33 Å 3
Surface Area 344.04 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • (1r)-1-[(3s,5s,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-17-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-oxirane]yl]ethanol
  • (1r)-1-[(3s,5s,8r,9s,10s,13s,14s,17s)-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-oxirane]-17-yl]ethanol
  • 3-spirooxiranylpregnan-20-ol
  • 3-spopo
  • 3beta-spiro-oxiranyl-5alpha-pregnan-20beta-ol
CAS Number(s)
  • 96087-24-0
InChIKey TXTPYCUXAOIEQA-RRXWDWNBSA-N
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