Stoloniferone G

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Properties Simple | Detailed

Formula C28H44O5
IUPAC Name (2r,5r,6r,8s,9s,10r,11r,13r,14s,17r)-2,5,6,11-tetrahydroxy-10,13-dimethyl-17-[(1r)-1-methyl-4-methylene-hept-6-ynyl]-6,7,8,9,11,12,14,15,16,17-decahydro-2h-cyclopenta[a]phenanthren-1-one
Molecular Mass 460.646 g·mol−1
Heat of Formation -1072.9 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 589.2 Å 3
Surface Area 446.22 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,5r,6r,8s,9s,10r,11r,13r,14s,17r)-17-[(1r)-1,5-dimethyl-4-methylene-hexyl]-2,5,6,11-tetrahydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2h-cyclopenta[a]phenanthren-1-one
  • (2r,5r,6r,8s,9s,10r,11r,13r,14s,17r)-17-[(1r)-1,5-dimethyl-4-methylenehexyl]-2,5,6,11-tetrahydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2h-cyclopenta[a]phenanthren-1-one
  • (2r,5r,6r,8s,9s,10r,11r,13r,14s,17r)-2,5,6,11-tetrahydroxy-10,13-dimethyl-17-[(2r)-6-methyl-5-methylidene-heptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-2h-cyclopenta[a]phenanthren-1-one
  • (2r,5r,6r,8s,9s,10r,11r,13r,14s,17r)-2,5,6,11-tetrahydroxy-10,13-dimethyl-17-[(2r)-6-methyl-5-methylideneheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-2h-cyclopenta[a]phenanthren-1-one
  • (2r,5r,6r,8s,9s,10r,11r,13r,14s,17r)-2,5,6,11-tetrahydroxy-17-[(1r)-4-isopropyl-1-methyl-pent-4-enyl]-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2h-cyclopenta[a]phenanthren-1-one
InChIKey XLUAFUWMFZEETH-QFEHSGLGSA-N
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