(3β,4Alpha)-3,4-Dihydroxy-11-Methylgona-1,5(10),6,8,11,13-Hexaen-17-One

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Properties Simple | Detailed

Formula C18H16O3
IUPAC Name (3s,4s)-3,4-dihydroxy-11-methyl-3,4,15,16-tetrahydrocyclopenta[a]phenanthren-17-one
Molecular Mass 280.318 g·mol−1
Heat of Formation -332.2 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 323.2 Å 3
Surface Area 285.21 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4s)-3,4-dihydroxy-11-methyl-3,4,15,16-tetrahydrocyclopenta[a]phenanthren-17-one
  • 17h-cyclopenta(a)phenanthren-17-one, 3,4,15,16-tetrahydro-3,4-dihydroxy-11-methyl-, trans-
  • 3,4,15,16-tetrahydro-3,4-dihydroxy-11-methyl-17h-cyclopenta(a)phenanthren-17-one
  • 3,4-dihydroxy-11-methyl-3,4,15,16-tetrahydroxycyclopenta(a)phenanthren-17-one
  • tdmcpo
CAS Number(s)
  • 72007-69-3
InChIKey RAXAPVOXQLFSFL-WMZOPIPTSA-N
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