1-Methyl-D1-Androsten-17B-Ol-3-One

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Properties Simple | Detailed

Formula C20H30O2
IUPAC Name (5s,8r,9s,10s,13s,14s,17s)-17-hydroxy-1,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 302.451 g·mol−1
Heat of Formation -493.9 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 393.75 Å 3
Surface Area 309.47 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,8r,9s,10s,13s,14s,17s)-17-hydroxy-1,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 17beta-hydroxy-1beta-methyl-5alpha-androst-1-en-3-one
InChIKey ANJQEDFWRSLVBR-VHUDCFPWSA-N
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