(1R,3'S,4S,6R,7R,11Z)-7-Hydroxy-3',6,7,14-Tetramethyl-8H,17H-Spiro[2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-Ene-4,2'-Oxirane]-3,8,17-Trione

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Formula C19H27NO7
IUPAC Name (1r,3's,4s,6r,7r,11z,14s)-7-hydroxy-3',6,7,14-tetramethyl-spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione
Molecular Mass 381.420 g·mol−1
Heat of Formation -1097.9 ± 16.7 kJ·mol−1
Dipole Moment 5.72 ± 1.08 D
Volume 449.35 Å 3
Surface Area 352.53 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-octosenine
  • (1r,3's,4s,6r,7r,11z)-7-hydroxy-3',6,7,14-tetramethyl-spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione
  • (1r,3's,4s,6r,7r,11z)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione
  • d-otocenime
  • d-otosenine
  • othosenin
  • othosenine
  • spiro(2,9-dioxa-14-azabicyclo(9,5,1)heptadec-11-ene-4,2'-oxirane)-3,8,17-trione, 7-hydroxy-3',6,7,14-tetramethyl-, (1r,2's,3's,6r,7r)-
  • tomentosine
CAS Number(s)
  • 16958-29-5
InChIKey CZQLULNMKQAIQL-GZSSMBGUSA-N
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