Tetramethyl-, (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-

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Properties Simple | Detailed

Formula C35H58O9
IUPAC Name 5-ethynyl-4-methyl-2-(oxomethylene)furan-3-one; formaldehyde; penta-1,3-diyn-1-ol; prop-1-yne; prop-1-yn-1-ol
Molecular Mass 622.830 g·mol−1
Heat of Formation -1814.6 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 812.78 Å 3
Surface Area 554.75 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 2.95 ± eV
Point Group Symmetry C1
Synonyms
  • (3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(1s,2r,3s)-3-[(2r,4r,5s,6r)-2,4-dihydroxy-6-isopropyl-5-methyl-2-tetrahydropyranyl]-2-hydroxy-1-methylbutyl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
  • (3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(1s,2r,3s)-3-[(2r,4r,5s,6r)-2,4-dihydroxy-6-isopropyl-5-methyl-tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
  • (3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(2s,3r,4s)-4-[(2r,4r,5s,6r)-2,4-dihydroxy-5-methyl-6-propan-2-yl-oxan-2-yl]-3-hydroxy-pentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
  • (3z,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(2s,3r,4s)-4-[(2r,4r,5s,6r)-2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
  • acon0_000813
  • bafilomycin a1
  • hygrolidin, 21-o-de(3-carboxy-1-oxo-2-propenyl)-2-demethyl-2-methoxy-24-methyl-
  • megxm0_000385
CAS Number(s)
  • 88899-55-2
InChIKey XDHNQDDQEHDUTM-JQWOJBOSSA-N
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