3-β,6Alpha-Dihydroxy-5Alpha-Cholesta-9(11),24-Dien-23-One

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Properties Simple | Detailed

Formula C27H42O3
IUPAC Name (6r)-6-[(3s,5s,6s,8s,10s,13r,14s,17r)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-en-4-one
Molecular Mass 414.621 g·mol−1
Heat of Formation -759.8 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 555.67 Å 3
Surface Area 414.35 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta,5alpha,6alpha)-3,6-dihydroxy-cholesta-9(11),24-dien-23-one
  • (6r)-6-[(3s,5s,6s,8s,10s,13r,14s,17r)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-en-4-one
  • (6r)-6-[(3s,5s,6s,8s,10s,13r,14s,17r)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-en-4-one
  • marthasterone
CAS Number(s)
  • 36564-29-1
InChIKey JMTGPYQQNHOZAL-GNGILNPGSA-N
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