Algestone Acetonide

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Properties Simple | Detailed

Formula C24H34O4
IUPAC Name (1r,2s,4r,8s,9s,12s,13r)-8-acetyl-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
Molecular Mass 386.524 g·mol−1
Heat of Formation -865.4 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 484.06 Å 3
Surface Area 367.15 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • algestone acetonide (usan)
  • d02808
InChIKey LSWBQIAZNGURQV-WTBIUSKOSA-N
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