[(1S,2R,7R,9S,10R,14S,15S)-10-Hydroxy-1,5,12-Trimethyl-2H-Spiro[8,13-Dioxa-11-Azatetracyclo[7.5.1.0~2,7~.0~10,14~]Pentadeca-5,11-Diene-15,2'-Oxiran]-2-Yl]Methyl Acetate

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Properties Simple | Detailed

Formula C19H25NO6
IUPAC Name [(1s,2r,7r,9s,10r,14s,15s)-10-hydroxy-1,5,12-trimethyl-2h-spiro[8,13-dioxa-11-azatetracyclo[7.5.1.0 2,7 .0 10,14 ]pentadeca-5,11-diene-15,2'-oxiran]-2-yl]methyl acetate
Molecular Mass 363.405 g·mol−1
Heat of Formation -887.7 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 416.24 Å 3
Surface Area 330.84 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole
  • 3a,4,8,9,10,10a-hexahydro-3a-hydroxy-2,7,10-trimethylspiro(4,10-methano(1)benzoxepino(3,4-d)oxazole-11,2'-oxirane)-9a(5ah)-methanol acetate (ester), (3as-(3aalpha,4alpha,5aalpha,9aalpha,10alpha,10aalpha,11r*))-
  • maheto
  • spiro(4,10-methano(1)benzoxepino(3,4-d)oxazole-11,2'-oxirane)-9a(5ah)-methanol, 3a,4,8,9,10,10a-hexahydro-3a-hydroxy-2,7,10-trimethyl-, acetate (ester), (3as-(3aalpha,4alpha,5aalpha,9aalpha,10alpha,10aalpha,11r*))-
  • spiro[4,10-methano[1]benzoxepino[3,4-d]oxazole- 11,2'-oxirane]-9a(5ah)-methanol, 3a,4,8,9,10,10a-hexahydro-3a- hydroxy-2,7,10-trimethyl-, .alpha.-acetate, (3a.alpha.,4.beta.,5a.alpha.,9a.alpha.,10.beta.,10a.alpha.,11s*)-
CAS Number(s)
  • 79320-86-8
InChIKey VPAFCFZXLOFBST-IVBNJOGPSA-N
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