Cholesta-5,7,22-Trien-3-.β.-Ol

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Properties Simple | Detailed

Formula C27H42O
IUPAC Name (3s,9s,10r,13r,14r,17r)-17-[(e,1r)-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 382.622 g·mol−1
Heat of Formation -346.9 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 530.55 Å 3
Surface Area 421.21 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,9s,10r,13r,14r,17r)-10,13-dimethyl-17-[(e,2r)-6-methylhept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,9s,10r,13r,14r,17r)-17-[(e,1r)-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 5,7,22-cholestatrien-3beta-ol
  • cholesta-5,7,22-trien-3-ol, (3beta)-
  • delta-5,7,22-cholestatrien-3beta-ol
CAS Number(s)
  • 19633-95-5
InChIKey RQOCXCFLRBRBCS-LNOGQBHPSA-N
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