[(8S)-8-Acetoxy-12-Hydroxy-2-{(2S,3R)-2-Methyl-3-[(1Z)-1-Propen-1-Yl]-2-Oxiranyl}-4,11-Dioxo-8,9,10,11-Tetrahydro-4H-Naphtho[2,3-H]Chromen-5-Yl]Acetic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C27H25O9+
IUPAC Name 2-[(8s)-8-acetoxy-12-hydroxy-2-[(2s,3r)-2-methyl-3-[(z)-prop-1-enyl]oxiran-2-yl]-4,11-dioxo-9,10-dihydro-8h-naphtho[2,3-h]chromen-5-yl]acetic acid
Molecular Mass 493.482 g·mol−1
Heat of Formation -1307.3 ± 16.7 kJ·mol−1
Dipole Moment 5.90 ± 1.08 D
Volume 549.06 Å 3
Surface Area 447.96 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 1.61 ± eV
Point Group Symmetry C1
InChIKey GMKMVBAGONGKOV-ANGZKDRVSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O