5-(Methylamino)-2-({(2S,3S,6S,8S,9R,11R)-3,9,11-Trimethyl-8-[(2R)-1-Oxo-1-(1H-Pyrrol-2-Yl)-2-Propanyl]-1,7-Dioxaspiro[5.5]Undec-2-Yl}Methyl)-1,3-Benzoxazole-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C29H25N3O6
IUPAC Name 2-[[(6r)-3-methyl-9,11-dimethylene-8-[2-[(3s)-2-(oxomethylene)-3h-pyrrol-3-yl]ethyl]-1,7-dioxaspiro[5.5]undec-3-en-2-ylidene]methylene]-5-methylidyneammonio-7ah-1,3-benzoxazol-3-ium-4-carboxylate
Molecular Mass 511.525 g·mol−1
Heat of Formation 4039.8 ± 16.7 kJ·mol−1
Dipole Moment 6.88 ± 1.08 D
Volume 552.58 Å 3
Surface Area 474.47 Å 2
Point Group Symmetry C1
Synonyms
  • 2-[[(2s,3r,5r,6s,8s,9s)-2-[(1r)-2-keto-1-methyl-2-(1h-pyrrol-2-yl)ethyl]-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-5-methylamino-1,3-benzoxazole-4-carboxylic acid
  • 5-methylamino-2-[[(2s,3r,5r,6s,8s,9s)-3,5,9-trimethyl-2-[(1r)-1-methyl-2-oxo-2-(1h-pyrrol-2-yl)ethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid
InChIKey HIYAVKIYRIFSCZ-IXDUQPDSSA-N
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