(3β,5β,9β)-3-[(2,6-Dideoxy-β-D-Ribo-Hexopyranosyl)Oxy]-5,14-Dihydroxy-19-Oxocard-20(22)-Enolide

Molecule SVG Image

Properties Simple | Detailed

Formula C29H42O9
IUPAC Name (3s,5s,8r,9r,10s,13r,14s,17r)-3-[(2r,4s,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2h-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde
Molecular Mass 534.638 g·mol−1
Heat of Formation -1700.6 ± 16.7 kJ·mol−1
Dipole Moment 8.64 ± 1.08 D
Volume 626.77 Å 3
Surface Area 480.03 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,8r,9r,10s,13r,14s,17r)-3-[(2r,4s,5s,6r)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2h-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde
  • (3s,5s,8r,9r,10s,13r,14s,17r)-3-[(2r,4s,5s,6r)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2h-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde
  • (3s,5s,8r,9r,10s,13r,14s,17r)-3-[(2r,4s,5s,6r)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-17-(5-keto-2h-furan-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde
  • (3s,5s,8r,9r,10s,13r,14s,17r)-3-[[(2r,4s,5s,6r)-4,5-dihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2h-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-10-carboxaldehyde
  • bb_nc-1526
InChIKey QBILRDAMJUPXCX-PYRINQJKSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O