20,21-Dihydroxy-18,20-Epoxypregn-4-En-3-One

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Properties Simple | Detailed

Formula C21H30O4
IUPAC Name (1r,2s,5s,6r,9r,12s,13r)-6-hydroxy-6-(hydroxymethyl)-13-methyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-17-en-16-one
Molecular Mass 346.461 g·mol−1
Heat of Formation -828.2 ± 16.7 kJ·mol−1
Dipole Moment 2.25 ± 1.08 D
Volume 425.27 Å 3
Surface Area 336.22 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
InChIKey GPYDBMQOMJCWRO-XYIAWKELSA-N
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Elements H C O