(3β,5Alpha,22S,28S)-4,4,14-Trimethyl-22,28-Epoxyergost-8-Ene-3,28-Diol

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Properties Simple | Detailed

Formula C31H52O3
IUPAC Name (6e)-6-[(12s)-10-ethynyl-2,2',6-trimethylene-spiro[bicyclo[7.5.0]tetradeca-1(9),13-dien-3,7-diyne-12,1'-cyclopropane]-5-ylidene]-2-methylene-4-oxabicyclo[3.2.0]hept-1(5)-en-3-one; formaldehyde
Molecular Mass 472.743 g·mol−1
Heat of Formation -907.1 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 633.75 Å 3
Surface Area 470.59 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 1.16 ± eV
Point Group Symmetry C1
Synonyms
  • (22s,24r)-24-methyl-22,28-epoxylanost-8-ene-3beta,28alpha-diol
  • (2s,3r,5s)-5-[(1s)-1-[(3s,5r,10s,13r,14r,17r)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]ethyl]-3-isopropyl-2-tetrahydrofuranol
  • (2s,3r,5s)-5-[(1s)-1-[(3s,5r,10s,13r,14r,17r)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]ethyl]-3-isopropyl-tetrahydrofuran-2-ol
  • (2s,3r,5s)-5-[(1s)-1-[(3s,5r,10s,13r,14r,17r)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]ethyl]-3-propan-2-yl-oxolan-2-ol
  • (2s,3r,5s)-5-[(1s)-1-[(3s,5r,10s,13r,14r,17r)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]ethyl]-3-propan-2-yloxolan-2-ol
  • 24-methyllanosta-8-en-22,28-epoxy-3,28-diol
  • 24-mleed
  • ergost-8-ene-3,28-diol, 22,28-epoxy-4,4,14-trimethyl-, (3beta,5alpha,22s,24r,28s)-
CAS Number(s)
  • 158331-65-8
InChIKey OFHWJPCEKLTYRB-NUGYNWQUSA-N
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