(4Bs,6As,7S,8As,9As,9Br)-2-Methoxy-6A-Methyl-4B,6,6A,7,8,8A,9,9B,10,11-Decahydro-5H-Cyclopropa[1,5]Cyclopenta[1,2-A]Phenanthren-7-Ol

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Properties Simple | Detailed

Formula C20H26O2
IUPAC Name (4bs,6as,7s,8as,9as,9br)-2-methoxy-6a-methyl-4b,6,6a,7,8,8a,9,9b,10,11-decahydro-5h-cyclopropa[1,5]cyclopenta[1,2-a]phenanthren-7-ol
Molecular Mass 298.419 g·mol−1
Heat of Formation -273.1 ± 16.7 kJ·mol−1
Dipole Moment 1.23 ± 1.08 D
Volume 373.42 Å 3
Surface Area 311.77 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 17-hydroxy-3-methoxy-14,15-methylenestra-1,3,5(a)-trien
  • 3-methoxy-14,15-methylene-1,3,5(10)-estratrien-17-ol
  • cycloprop(14,15)estra-1,3,5(10)-trien-17-ol, 3',15-dihydro-3-methoxy-, (14s,15beta,17beta)-
CAS Number(s)
  • 73890-92-3
InChIKey KWJWXRZFIVSLKX-FAQOMCGWSA-N
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