(3β,22E)-29-Fluorostigmasta-5,22-Dien-3-Ol

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Properties Simple | Detailed

Formula C29H47FO
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-17-[(e,1r,4s)-4-(2-fluoroethyl)-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 430.681 g·mol−1
Heat of Formation -644.6 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 586.08 Å 3
Surface Area 455.88 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 1.19 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(e,1r,4s)-4-(2-fluoroethyl)-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(e,1r,4s)-4-(2-fluoroethyl)-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(e,2r,5s)-5-(2-fluoroethyl)-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(e,2r,5s)-5-(2-fluoroethyl)-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 29-fluorostigmasterol
CAS Number(s)
  • 87028-22-6
InChIKey LIPUNUCTWBEIBW-XMGWFLLDSA-N
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