(3β,11β)-3,11,21-Trihydroxy-20-Oxopregn-5-En-18-Al

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Formula C21H30O5
IUPAC Name (3s,8s,9s,10r,11s,13r,14s,17s)-3,11-dihydroxy-17-(2-hydroxyacetyl)-10-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-13-carbaldehyde
Molecular Mass 362.460 g·mol−1
Heat of Formation -941.2 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 437.14 Å 3
Surface Area 341.53 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 3.08 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,11s,13r,14s,17s)-17-glycoloyl-3,11-dihydroxy-10-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-13-carbaldehyde
  • (3s,8s,9s,10r,11s,13r,14s,17s)-3,11-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-13-carboxaldehyde
  • (3s,8s,9s,10r,11s,13r,14s,17s)-3,11-dihydroxy-17-(2-hydroxyacetyl)-10-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-13-carbaldehyde
  • (3s,8s,9s,10r,11s,13r,14s,17s)-3,11-dihydroxy-17-(2-hydroxyethanoyl)-10-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-13-carbaldehyde
  • 3-hydroxy-delta(5)-aldosterone
  • 5-haa
CAS Number(s)
  • 103232-21-9
InChIKey SCHPWTRQYIXNQC-YUUPMBNKSA-N
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