(1α,3Beta,5Beta,22E)-1,3,5-Trihydroxyergosta-22,24(28)-Dien-6-One

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Properties Simple | Detailed

Formula C28H44O4
IUPAC Name (1s,3s,5s,8s,9s,10s,13r,14s,17r)-17-[(e,1r)-1,5-dimethyl-4-methylene-hex-2-enyl]-1,3,5-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-6-one
Molecular Mass 444.647 g·mol−1
Heat of Formation -391.4 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 572.08 Å 3
Surface Area 437.92 Å 2
Point Group Symmetry C1
Synonyms
  • (1s,3s,5s,8s,9s,10s,13r,14s,17r)-1,3,5-trihydroxy-10,13-dimethyl-17-[(e,2r)-6-methyl-5-methylidene-hept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-6-one
  • (1s,3s,5s,8s,9s,10s,13r,14s,17r)-1,3,5-trihydroxy-10,13-dimethyl-17-[(e,2r)-6-methyl-5-methylidenehept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-6-one
  • (1s,3s,5s,8s,9s,10s,13r,14s,17r)-1,3,5-trihydroxy-17-[(1r,2e)-4-isopropyl-1-methyl-penta-2,4-dienyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-6-one
  • (1s,3s,5s,8s,9s,10s,13r,14s,17r)-17-[(e,1r)-1,5-dimethyl-4-methylene-hex-2-enyl]-1,3,5-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-6-one
  • (1s,3s,5s,8s,9s,10s,13r,14s,17r)-17-[(e,1r)-1,5-dimethyl-4-methylenehex-2-enyl]-1,3,5-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-6-one
InChIKey GGUKDEVDQIQJKX-FBLPJEGZSA-N
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