(2α,3Beta,5α,11Beta,12α)-2,3,11-Trihydroxy-4,4-Dimethylergosta-8,14,24(28)-Trien-12-Yl Acetate

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Properties Simple | Detailed

Formula C28H20O5
IUPAC Name ethanol; 15-ethynyl-4,14-dimethylene-6-prop-1-ynyl-bicyclo[9.8.0]nonadeca-6,7,9,10-tetraen-12,18-diyne-2,3,16,17-tetrone
Molecular Mass 436.455 g·mol−1
Heat of Formation -1128.2 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 668.81 Å 3
Surface Area 505.8 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 3.19 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,5r,10s,11r,12r,13r,17r)-17-[(1r)-1,5-dimethyl-4-methylene-hexyl]-2,3,11-trihydroxy-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-12-yl] acetate
  • [(2r,3r,5r,10s,11r,12r,13r,17r)-2,3,11-trihydroxy-4,4,10,13-tetramethyl-17-[(2r)-6-methyl-5-methylidene-heptan-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-12-yl] ethanoate
  • [(2r,3r,5r,10s,11r,12r,13r,17r)-2,3,11-trihydroxy-4,4,10,13-tetramethyl-17-[(2r)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-12-yl] acetate
  • acetic acid [(2r,3r,5r,10s,11r,12r,13r,17r)-17-[(1r)-1,5-dimethyl-4-methylenehexyl]-2,3,11-trihydroxy-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-12-yl] ester
  • acetic acid [(2r,3r,5r,10s,11r,12r,13r,17r)-2,3,11-trihydroxy-17-[(1r)-4-isopropyl-1-methyl-pent-4-enyl]-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-12-yl] ester
  • ergosta-8,14,24(28)-triene-2,3,11,12-tetrol, 4,4-dimethyl-, 12-acetate, (2.alpha.,3.beta.,5.alpha.,11.beta.,12.alpha.)-
  • integracide b
InChIKey VCOKSAAKIDFNQE-PGHPLGCHSA-N
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