Z-Guggulsterone

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Properties Simple | Detailed

Formula C21H28O2
IUPAC Name (8r,9s,10r,13s,14s,17z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
Molecular Mass 312.446 g·mol−1
Heat of Formation -392.6 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 401.17 Å 3
Surface Area 323.4 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (17z)-pregna-4,17(20)-diene-3,16-dione
  • (17z)-pregna-4,17-diene-3,16-dione
  • (8r,9s,10r,13s,14s,17z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
  • (8r,9s,10r,13s,14s,17z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-quinone
  • 4,17(20)-cis-pregnadiene-3,16-dione
  • cis-guggulsterone
  • e-guggulsteron
  • guggulsterones z
  • pregna-4,17(20)-diene-3,16-dione, (17e)-
CAS Number(s)
  • 39025-23-5
  • 39025-24-6
InChIKey WDXRGPWQVHZTQJ-OSJVMJFVSA-N
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