Methyl (4α,5α,14Beta)-4-Methyl-3,11-Dioxoergosta-8,24(28)-Dien-26-Oate

Molecule SVG Image

Properties Simple | Detailed

Formula C30H44O4
IUPAC Name methyl 2-methyl-3-methylene-6-(4,10,13-trimethyl-3,11-dioxo-2,4,5,6,7,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl)heptanoate
Molecular Mass 468.668 g·mol−1
Heat of Formation 3116.8 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 492.59 Å 3
Surface Area 411.99 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -2.15 ± eV
Point Group Symmetry C1
InChIKey JVQOVXPSHOWVQH-PFLXJFGVSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C O