(2β,3β,5β,22R,24S,25S,28R)-2,3,14,20,22-Pentahydroxy-26,28-Epoxystigmast-7-Ene-6,26-Dione

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Formula C29H44O8
IUPAC Name (3s,4s,5r)-4-[(2r,3r)-2,3-dihydroxy-3-[(2s,3r,5r,9r,10r,13r,14s,17s)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyl-tetrahydrofuran-2-one
Molecular Mass 520.655 g·mol−1
Heat of Formation -1681.6 ± 16.7 kJ·mol−1
Dipole Moment 6.11 ± 1.08 D
Volume 628.12 Å 3
Surface Area 474.02 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4s,5r)-4-[(2r,3r)-2,3-dihydroxy-3-[(2s,3r,5r,9r,10r,13r,14s,17s)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyl-2-tetrahydrofuranone
  • (3s,4s,5r)-4-[(2r,3r)-2,3-dihydroxy-3-[(2s,3r,5r,9r,10r,13r,14s,17s)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyl-oxolan-2-one
  • (3s,4s,5r)-4-[(2r,3r)-2,3-dihydroxy-3-[(2s,3r,5r,9r,10r,13r,14s,17s)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyl-tetrahydrofuran-2-one
  • (3s,4s,5r)-4-[(2r,3r)-2,3-dihydroxy-3-[(2s,3r,5r,9r,10r,13r,14s,17s)-2,3,14-trihydroxy-6-keto-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyl-tetrahydrofuran-2-one
  • 5-beta-stigmast-7-en-26-oic acid, 2-beta,3-beta,14,20,22,28-hexahydroxy-6-oxo-, gamma-lactone, (22r,24s,25s,28r)-
  • cyasteron
  • cyasterone
CAS Number(s)
  • 17086-76-9
InChIKey NEFYSBQJYCICOG-YSEUJXISSA-N
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