Gona-1,3,5(10)-Trien-17-Ol, 13-Ethyl-3-Methoxy-, (17β)-

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Properties Simple | Detailed

Formula C20H28O2
IUPAC Name (8r,9s,13s,14s,17s)-13-ethyl-3-methoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
Molecular Mass 300.435 g·mol−1
Heat of Formation -404.0 ± 16.7 kJ·mol−1
Dipole Moment 1.37 ± 1.08 D
Volume 384.1 Å 3
Surface Area 320.74 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-13-ethyl-3-methoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
  • 18-me-3-me
  • 18-methylestradiol-3-methyl ether
CAS Number(s)
  • 3625-82-9
InChIKey CNPGMVAEOUQDBN-SLHNCBLASA-N
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DOI
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