Reichstein'S Substance E

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Properties Simple | Detailed

Formula C21H32O5
IUPAC Name (8s,9s,10r,11s,13s,14s,17r)-17-[(1s)-1,2-dihydroxyethyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 364.476 g·mol−1
Heat of Formation -1052.1 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 441.54 Å 3
Surface Area 340.72 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,11s,13s,14s,17r)-17-[(1s)-1,2-dihydroxyethyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
CAS Number(s)
  • 1719-79-5
InChIKey AWWCEQOCFFQUKS-FJWDNACWSA-N
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DOI
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