(17β)-2-Methylestra-1,3,5(10)-Triene-3,4,17-Triol

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Properties Simple | Detailed

Formula C19H26O3
IUPAC Name (8r,9s,13s,14s,17s)-2,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol
Molecular Mass 302.408 g·mol−1
Heat of Formation -627.7 ± 16.7 kJ·mol−1
Dipole Moment 1.57 ± 1.08 D
Volume 374.7 Å 3
Surface Area 311.97 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-2,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol
  • 4-hydroxy-2-methylestradiol
  • estra-1,3,5(10)-triene-3,4,17-triol, 2-methyl-, (17beta)-
CAS Number(s)
  • 84872-84-4
InChIKey JTWXFIVAPGTLBX-GPQWERQGSA-N
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DOI
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