(1S,3S,7R,10S,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-Pentamethyl-3-[(1E)-1-(2-Methyl-1,3-Thiazol-4-Yl)-1-Propen-2-Yl]-17-Oxa-4-Azabicyclo[14.1.0]Heptadecane-5,9-Dione

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Formula C27H42N2O5S
IUPAC Name (1s,3s,7r,10s,11s,12s,16r)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(e)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
Molecular Mass 506.698 g·mol−1
Heat of Formation -897.4 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 627.42 Å 3
Surface Area 448.91 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,5s,6s,7s,10r,14s,16s)-6,10-dihydroxy-1,5,7,9,9-pentamethyl-14-[(e)-1-methyl-2-(2-methyl-4-thiazolyl)vinyl]-17-oxa-13-azabicyclo[14.1.0]heptadecane-8,12-dione
  • (1r,5s,6s,7s,10r,14s,16s)-6,10-dihydroxy-1,5,7,9,9-pentamethyl-14-[(e)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-17-oxa-13-azabicyclo[14.1.0]heptadecane-8,12-dione
  • (1r,5s,6s,7s,10r,14s,16s)-6,10-dihydroxy-1,5,7,9,9-pentamethyl-14-[(e)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-17-oxa-13-azabicyclo[14.1.0]heptadecane-8,12-quinone
InChIKey FABUFPQFXZVHFB-CFWQTKTJSA-N
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