(7Ar,9R,11Br)-1-Acetoxy-9-[(R)-3-Furyl(β-L-Glucopyranosyloxy)Methyl]-5,5,7A,9,11B-Pentamethyl-3,7-Dioxododecahydro-5H-Spiro[Naphtho[2,1-C]Oxepine-8,2'-Oxirane]-3'-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C34H46O15 |
IUPAC Name | (1r,2'r,5ar,7ar,8r,9s,11ar,11br)-1-acetoxy-9-[(r)-3-furyl-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-methyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxo-spiro[2,5a,6,10,11,11a-hexahydro-1h-naphtho[2,1-c]oxepine-8,3'-oxirane]-2'-carboxylic acid |
Molecular Mass | 694.720 g·mol−1 |
Heat of Formation | -2545.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.96 ± 1.08 D |
Volume | 784.14 Å 3 |
Surface Area | 534.51 Å 2 |
HOMO Energy | -9.55 ± 0.55 eV |
LUMO Energy | 3.31 ± eV |
Point Group Symmetry | C1 |
InChIKey | GIVMXHQLQAIYEX-MJGDYQFXSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |