(3S,3As,10As,11As,11Bs)-3-Hydroxy-3A,6-Dimethyl-1,2,3,3A,4,5,9,10,10A,11,11A,11B-Dodecahydro-8H-Cyclopenta[A]Anthracen-8-One

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Formula C19H26O2
IUPAC Name (3s,3as,10as,11as,11bs)-3-hydroxy-3a,6-dimethyl-2,3,4,5,9,10,10a,11,11a,11b-decahydro-1h-cyclopenta[a]anthracen-8-one
Molecular Mass 286.409 g·mol−1
Heat of Formation -414.3 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 365.01 Å 3
Surface Area 304.25 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • 1,6-cyclo-1,10-secoandrosta-4,9-dien-3-one, 17-hydroxy-, (6beta,17beta)-
  • 3-hydroxy-3,6-dimethyl-2,3,3,4,5,8,9,10,10,11,11,11-dodecahydro-1h-cyclopenta(a)anthracene-8-one
  • 3beta-hydroxy-3alpha,beta,6-dimethyl-2,3,3a,4,5,8,9,10,10abeta,11,11abeta,11balpha-dodecahydro-1h-cyclopenta(a)anthracene-8-one
  • anthrasteroid 1
CAS Number(s)
  • 120542-29-2
InChIKey HGULMTJPHPUFCN-WKCWRMMGSA-N
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