Spongiatriol

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Properties Simple | Detailed

Formula C20H28O5
IUPAC Name (3bs,5ar,6s,7s,9ar,9br)-7-hydroxy-3b,6-bis(hydroxymethyl)-6,9a-dimethyl-4,5,5a,7,9,9b,10,11-octahydronaphtho[2,1-e]isobenzofuran-8-one
Molecular Mass 348.433 g·mol−1
Heat of Formation -878.7 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 414.68 Å 3
Surface Area 319.89 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (3bs,5ar,6s,7s,9ar,9br)-7-hydroxy-3b,6-bis(hydroxymethyl)-6,9a-dimethyl-4,5,5a,7,9,9b,10,11-octahydronaphtho[8,7-g][2]benzoxol-8-one
  • (3bs,5ar,6s,7s,9ar,9br)-7-hydroxy-3b,6-bis(hydroxymethyl)-6,9a-dimethyl-4,5,5a,7,9,9b,10,11-octahydronaphtho[8,7-g]isobenzofuran-8-one
  • (3bs,5ar,6s,7s,9ar,9br)-7-hydroxy-6,9a-dimethyl-3b,6-dimethylol-4,5,5a,7,9,9b,10,11-octahydronaphtho[8,7-g]isobenzofuran-8-one
  • 18-nor-16-oxaandrosta-13(17),14-dien-2-one, 3-hydroxy-4,8-bis(hydroxymethyl)-4-methyl-, (3alpha,4beta,5alpha)-
  • epispongiatriol
CAS Number(s)
  • 71302-27-7
InChIKey MCWBEUKGVFWARY-IGOIZDSHSA-N
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