17-Hydroxy-6-Methylpregn-5-Ene-3,20-Dione Cyclic 3-(Ethylene Acetal) Acetate

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Properties Simple | Detailed

Formula C26H38O5
IUPAC Name [(8'r,9's,10'r,13's,14's,17'r)-17'-acetyl-6',10',13'-trimethyl-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene]-17'-yl] acetate
Molecular Mass 430.577 g·mol−1
Heat of Formation -1075.0 ± 16.7 kJ·mol−1
Dipole Moment 5.37 ± 1.08 D
Volume 538.35 Å 3
Surface Area 412.18 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.86 ± eV
Point Group Symmetry C1
Synonyms
  • [(8'r,9's,10'r,13's,14's,17'r)-17'-acetyl-6',10',13'-trimethyl-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene]-17'-yl] acetate
  • [(8'r,9's,10'r,13's,14's,17'r)-17'-acetyl-6',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene]-17'-yl] acetate
  • [(8'r,9's,10'r,13's,14's,17'r)-17'-ethanoyl-6',10',13'-trimethyl-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene]-17'-yl] ethanoate
  • acetic acid [(8'r,9's,10'r,13's,14's,17'r)-17'-acetyl-6',10',13'-trimethyl-17'-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene]yl] ester
  • acetic acid [(8'r,9's,10'r,13's,14's,17'r)-17'-acetyl-6',10',13'-trimethyl-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene]-17'-yl] ester
InChIKey UOYMGHSCINLOBK-ZKKYLISVSA-N
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