(1S,5R,7R,8R,11S,12R,13S)-5-[(3E,5E)-6-Bromo-3,5-Hexadien-1-Yl]-1,7-Dihydroxy-5,8,12-Trimethyl-3-Oxo-4,15-Dioxabicyclo[9.3.1]Pentadec-13-Yl 6-Deoxy-3,4-Di-O-Methyl-α-L-Mannopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C30H49BrO10
IUPAC Name (1s,5r,7r,8r,11s,12r,13s)-5-[(3e,5e)-6-bromohexa-3,5-dienyl]-1,7-dihydroxy-13-[(2r,3r,4s,5s,6s)-3-hydroxy-4,5-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-5,8,12-trimethyl-4,15-dioxabicyclo[9.3.1]pentadecan-3-one
Molecular Mass 649.608 g·mol−1
Heat of Formation -1956.6 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 737.28 Å 3
Surface Area 575.96 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,5s,7s,8s,11r,12s,13r)-5-[(3e,5e)-6-bromohexa-3,5-dien-1-yl]-1,7-dihydroxy-5,8,12-trimethyl-3-oxo-4,15-dioxabicyclo[9.3.1]pentadec-13-yl rel-6-deoxy-3,4-di-o-methyl-alpha-d-mannopyranoside
  • (1s,4r,5r,7r,11s,13s,14r)-7-[(3e,5e)-6-bromohexa-3,5-dienyl]-5,11-dihydroxy-13-[(2r,3r,4s,5s,6s)-3-hydroxy-4,5-dimethoxy-6-methyl-oxan-2-yl]oxy-4,7,14-trimethyl-8,15-dioxabicyclo[9.3.1]pentadecan-9-one
  • (1s,4r,5r,7r,11s,13s,14r)-7-[(3e,5e)-6-bromohexa-3,5-dienyl]-5,11-dihydroxy-13-[(2r,3r,4s,5s,6s)-3-hydroxy-4,5-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-4,7,14-trimethyl-8,15-dioxabicyclo[9.3.1]pentadecan-9-one
  • (1s,4r,5r,7r,11s,13s,14r)-7-[(3e,5e)-6-bromohexa-3,5-dienyl]-5,11-dihydroxy-13-[(2r,3r,4s,5s,6s)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy-4,7,14-trimethyl-8,15-dioxabicyclo[9.3.1]pentadecan-9-one
  • (1s,4r,5r,7r,11s,13s,14r)-7-[(3e,5e)-6-bromohexa-3,5-dienyl]-5,11-dihydroxy-13-[[(2r,3r,4s,5s,6s)-3-hydroxy-4,5-dimethoxy-6-methyl-2-tetrahydropyranyl]oxy]-4,7,14-trimethyl-8,15-dioxabicyclo[9.3.1]pentadecan-9-one
  • 4,15-dioxabicyclo[9.3.1]pentadecan-3-one, 5-[(3e,5e)-6-bromo-3,5-hexadienyl]-13-[(6-deoxy-3,4-di-o-methyl-alpha-l-mannopyranosyl)oxy]-1,7-dihydroxy-5,8,12-trimethyl-, (1s,5r,7r,8r,11s,12r,13s)-
  • 5-(6-bromo-hexa-3,5-dienyl)-1,7-dihydroxy-13-(3-hydroxy-4,5-dimethoxy-6-methyl-tetrahydro-pyran-2-yloxy)-5,8,12-trimethyl-4,15-dioxa-bicyclo[9.3.1]pentadecan-3-one
  • lyngbyaloside b
InChIKey IFLWJWSXKDLJIN-RHAGIDFESA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Br O