3-Hydroxy-15-Oxaestra-1,3,5(10)-Trien-17-One

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Properties Simple | Detailed

Formula C17H20O3
IUPAC Name (3as,3br,9bs,11as)-7-hydroxy-11a-methyl-3b,4,5,9b,10,11-hexahydro-3ah-naphtho[1,2-g]benzofuran-1-one
Molecular Mass 272.339 g·mol−1
Heat of Formation -474.4 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 327.26 Å 3
Surface Area 279.81 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,3br,9bs,11as)-7-hydroxy-11a-methyl-3b,4,5,9b,10,11-hexahydro-3ah-naphtho[1,2-g]benzofuran-1-one
InChIKey FANDDLFIYCQQPS-TXCZRRACSA-N
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