Algestone

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Formula C21H30O4
IUPAC Name (8r,9s,10r,13s,14s,16r,17s)-17-acetyl-16,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 346.461 g·mol−1
Heat of Formation -838.5 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 427.42 Å 3
Surface Area 333.94 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,16r,17s)-17-acetyl-16,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,16r,17s)-17-ethanoyl-16,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • 16alpha,17-dihydroxy-4-pregnen-3,20-dion
  • 16alpha,17-dihydroxypregn-4-ene-3,20-dione
  • alphasone
  • pregn-4-ene-3,20-dione, 16,17-dihydroxy-, (16alpha)-
CAS Number(s)
  • 595-77-7
InChIKey CXDWHYOBSJTRJU-SRWWVFQWSA-N
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