(3E,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3R,4S,6E,8S,9R)-3,9-Dihydroxy-4,8,10-Trimethyl-5-Oxo-6-Undecen-2-Yl]-8-Hydroxy-3,15-Dimethoxy-5,7,9,11-Tetramethyloxacyclohexadeca-3,5,11,13-Tetraen-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C35H56O8
IUPAC Name (3e,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(e,2s,3r,4s,8s,9r)-3,9-dihydroxy-4,8,10-trimethyl-5-oxoundec-6-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Molecular Mass 604.814 g·mol−1
Heat of Formation -1522.2 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 797.05 Å 3
Surface Area 573.15 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(e,1s,2r,3s,7s,8r)-2,8-dihydroxy-1,3,7,9-tetramethyl-4-oxo-dec-5-enyl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
  • (3e,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(e,1s,2r,3s,7s,8r)-2,8-dihydroxy-1,3,7,9-tetramethyl-4-oxodec-5-enyl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
  • (3e,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(e,1s,2r,3s,7s,8r)-2,8-dihydroxy-4-keto-1,3,7,9-tetramethyl-dec-5-enyl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
  • (3e,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(e,2s,3r,4s,8s,9r)-3,9-dihydroxy-4,8,10-trimethyl-5-oxo-undec-6-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
  • bafilomycin d
  • hygrolidin, 21-de((3-carboxy-1-oxo-2-propenyl)oxy)-19,23-deepoxy-20,21-didehydro-2-demethyl-19-deoxy-23-hydroxy-2-methoxy-24-methyl-19-oxo-
CAS Number(s)
  • 98813-13-9
InChIKey ZKOTUWJMGBWBEO-YXTSRGFTSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O