(5S,8S,9R)-8-Benzoyl-2-[(1S,2S,3E)-1,2-Dihydroxy-5-Oxo-3-Hexen-1-Yl]-9-Hydroxy-8-Methoxy-3-Methyl-1-Oxa-7-Azaspiro[4.4]Non-2-Ene-4,6-Dione

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Properties Simple | Detailed

Formula C22H23NO9
IUPAC Name (5s,8s,9r)-8-benzoyl-2-[(e,1s,2s)-1,2-dihydroxy-5-oxo-hex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Molecular Mass 445.419 g·mol−1
Heat of Formation -735.0 ± 16.7 kJ·mol−1
Dipole Moment 1.84 ± 1.08 D
Volume 506.42 Å 3
Surface Area 371.14 Å 2
Point Group Symmetry C1
Synonyms
  • (5s,6r,7s)-2-[(e,1s,2s)-1,2-dihydroxy-5-oxo-hex-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)-2-[(e,1s,2s)-1,2-dihydroxy-5-oxohex-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)-7-(benzoyl)-2-[(e,1s,2s)-1,2-dihydroxy-5-keto-hex-3-enyl]-6-hydroxy-7-methoxy-3-methyl-1-oxa-8-azaspiro[4.4]non-2-ene-4,9-quinone
  • (5s,6r,7s)-7-(benzoyl)-2-[(e,1s,2s)-1,2-dihydroxy-5-oxo-hex-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-[(e,1s,2s)-1,2-dihydroxy-5-oxohex-3-enyl]-6-hydroxy-7-methoxy-3-methyl-1-oxa-8-azaspiro[4.4]non-2-ene-4,9-dione
InChIKey HKPOITZRRWVZNT-YJGMOVEKSA-N
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