Pseurotin A

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Properties Simple | Detailed

Formula C22H25NO8
IUPAC Name (5s,8s,9r)-8-benzoyl-2-[(z,1s,2s)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Molecular Mass 431.436 g·mol−1
Heat of Formation -1162.7 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 503.74 Å 3
Surface Area 389.14 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6r,7s)-2-[(z,1s,2s)-1,2-dihydroxyhex-3-enyl]-6-hydroxy-7-methoxy-3-methyl-7-(oxo-phenylmethyl)-1-oxa-8-azaspiro[4.4]non-2-ene-4,9-dione
  • (5s,6r,7s)-2-[(z,1s,2s)-1,2-dihydroxyhex-3-enyl]-6-hydroxy-7-methoxy-3-methyl-7-phenylcarbonyl-1-oxa-8-azaspiro[4.4]non-2-ene-4,9-dione
  • (5s,6r,7s)-7-(benzoyl)-2-[(z,1s,2s)-1,2-dihydroxyhex-3-enyl]-6-hydroxy-7-methoxy-3-methyl-1-oxa-8-azaspiro[4.4]non-2-ene-4,9-dione
  • (5s,6r,7s)-7-(benzoyl)-2-[(z,1s,2s)-1,2-dihydroxyhex-3-enyl]-6-hydroxy-7-methoxy-3-methyl-1-oxa-8-azaspiro[4.4]non-2-ene-4,9-quinone
InChIKey SLYDIPAXCVVRNY-UOWMTANKSA-N
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