(3β,5Alpha,12Alpha,13β)-3-Hydroxy-28-Methyl-5,6,12,13-Tetrahydroveratraman-6-One

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Properties Simple | Detailed

Formula C28H47NO2
IUPAC Name (3s,4as,6as,6br,9r,10r,10as,11as,11br)-9-[(1s)-1-[(1r,2r,5s)-1,5-dimethyl-2-piperidyl]ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1h-benzo[a]fluoren-5-one
Molecular Mass 429.678 g·mol−1
Heat of Formation -674.8 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 580.52 Å 3
Surface Area 422.49 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4as,6as,6br,9r,10r,10as,11as,11br)-9-[(1s)-1-[(2r,5s)-1,5-dimethyl-2-piperidinyl]ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1h-benzo[a]fluoren-5-one
  • (3s,4as,6as,6br,9r,10r,10as,11as,11br)-9-[(1s)-1-[(2r,5s)-1,5-dimethyl-2-piperidyl]ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1h-benzo[a]fluoren-5-one
  • (3s,4as,6as,6br,9r,10r,10as,11as,11br)-9-[(1s)-1-[(2r,5s)-1,5-dimethylpiperidin-2-yl]ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1h-benzo[a]fluoren-5-one
  • n-methyl-3-hydroxy-5-veratranine-6-one
  • veratraman-6(5h)-one, 12,13-dihydro-3-hydroxy-28-methyl-, (3beta,5alpha,12alpha,13beta)-
CAS Number(s)
  • 117695-02-0
InChIKey UBMXONPUBFQLKA-BQUVWSHHSA-N
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