(3α,4α)-3-Hydroxy-4-Methyl-7,11-Dioxoergosta-8,24(28)-Dien-26-Oic Acid

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Formula C29H42O5
IUPAC Name (2r,6r)-6-[(3r,4s,5s,10s,13r,14r,17r)-3-hydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylene-heptanoic acid
Molecular Mass 470.641 g·mol−1
Heat of Formation -1064.8 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 592.48 Å 3
Surface Area 449.23 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
InChIKey TXEJUZMIQVTZHO-FQUXZYTCSA-N
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