B-Zearalanol

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Properties Simple | Detailed

Formula C18H26O5
IUPAC Name (4s,8s)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
Molecular Mass 322.396 g·mol−1
Heat of Formation -1028.7 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 402.37 Å 3
Surface Area 327.19 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,7s)-3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-1h-2-benzoxacyclotetradecin-1-one
  • (3s,7s)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1h-2-benzoxacyclotetradecin-1-one
  • (6s,10s)-6-(6,10-dihydroxyundecyl)-beta-resorcyclic acid mu-lactone
  • (7s,11s)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),14,16-trien-13-one
  • 1h-2-benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-, (3s-(3r*,7r*))
  • 2,4-dihydroxy-6-(6beta,10-dihydroxyundecyl]benzoic acid mu-lactone
  • beta zearalanol
  • d05992
  • p 1560
  • taleranol
  • taleranol (usan)
CAS Number(s)
  • 42422-68-4
InChIKey DWTTZBARDOXEAM-JSGCOSHPSA-N
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