26,27-Dihydroxylanosta-7,9(11),24-Trien-3-One

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Properties Simple | Detailed

Formula C30H44O3
IUPAC Name methanone; (6r)-6-[(5r,10s,13r,14r,17r)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-1-yn-1-olate
Molecular Mass 452.669 g·mol−1
Heat of Formation -677.3 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 604.82 Å 3
Surface Area 463.31 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 3.33 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,10s,13r,14r,17r)-17-[(1r)-6-hydroxy-1-methyl-5-methylol-hex-4-enyl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • (5r,10s,13r,14r,17r)-17-[(1r)-6-hydroxy-5-(hydroxymethyl)-1-methyl-hex-4-enyl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • (5r,10s,13r,14r,17r)-17-[(1r)-6-hydroxy-5-(hydroxymethyl)-1-methylhex-4-enyl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • (5r,10s,13r,14r,17r)-17-[(2r)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • ganoderiol f
CAS Number(s)
  • 114567-47-4
InChIKey JVGJXXNUVVQEIG-MCKXIFHVSA-N
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