Hyrtial

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Properties Simple | Detailed

Formula C26H40O3
IUPAC Name [(4as,4br,6r,6ar,10as,10br,12as)-8-formyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate
Molecular Mass 400.594 g·mol−1
Heat of Formation -725.0 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 519.18 Å 3
Surface Area 393.73 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 2.85 ± eV
Point Group Symmetry C1
Synonyms
  • [(4as,4br,6r,6ar,10as,10br,12as)-8-formyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate
  • [(4as,4br,6r,6ar,10as,10br,12as)-8-methanoyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] ethanoate
  • acetic acid [(4as,4br,6r,6ar,10as,10br,12as)-8-formyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] ester
  • d-homoandrost-16-ene-17-carboxaldehyde, 12-(acetyloxy)-4,4,8-trimethyl-, (5alpha,12beta)-
CAS Number(s)
  • 97889-56-0
InChIKey PTMXVTMFEPDKJQ-GAZMYWJLSA-N
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