(2E)-2-[(1R,6R,7R,11Z)-7-Hydroxy-6,7,14-Trimethyl-3,8,17-Trioxo-2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-En-4-Ylidene]Ethyl Acetate

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Properties Simple | Detailed

Formula C21H29NO8
IUPAC Name [(2e)-2-[(1r,6r,7r,11z,14s)-7-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-4-ylidene]ethyl] acetate
Molecular Mass 423.457 g·mol−1
Heat of Formation -1383.1 ± 16.7 kJ·mol−1
Dipole Moment 3.14 ± 1.08 D
Volume 495.42 Å 3
Surface Area 393.48 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 4,8-secosenecionan-8,11,16-trione, 21-(acetyloxy)-12-hydroxy-4-methyl-, (15e)-
  • [(2e)-2-[(1r,6r,7r,11z)-7-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-4-ylidene]ethyl] acetate
  • [(2e)-2-[(1r,6r,7r,11z)-7-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-4-ylidene]ethyl] ethanoate
  • acetic acid [(2e)-2-[(1r,6r,7r,11z)-7-hydroxy-3,8,17-triketo-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-4-ylidene]ethyl] ester
  • acetic acid [(2e)-2-[(1r,6r,7r,11z)-7-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-4-ylidene]ethyl] ester
  • acetylanonamine
CAS Number(s)
  • 138079-62-6
InChIKey VSDQPXFTDJVJID-BCPVGGSJSA-N
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