(5R,5Ar,8As,9S)-9-[(1-Benzyl-4-Piperidinyl)Amino]-5-(4-Hydroxy-3,5-Dimethoxyphenyl)-5,8,8A,9-Tetrahydrofuro[3',4':6,7]Naphtho[2,3-D][1,3]Dioxol-6(5Ah)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C33H36N2O7
IUPAC Name (5s,5as,8ar,9r)-5-[(1-benzyl-4-piperidyl)amino]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
Molecular Mass 572.648 g·mol−1
Heat of Formation -776.6 ± 16.7 kJ·mol−1
Dipole Moment 6.96 ± 1.08 D
Volume 672.36 Å 3
Surface Area 538.12 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,5ar,8as,9s)-5-(4-hydroxy-3,5-dimethoxy-phenyl)-9-[[1-(phenylmethyl)-4-piperidyl]amino]-5a,8,8a,9-tetrahydro-5h-isobenzofurano[6,5-f][1,3]benzodioxol-6-one
  • (5r,5ar,8as,9s)-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[1-(phenylmethyl)-4-piperidinyl]amino]-5a,8,8a,9-tetrahydro-5h-isobenzofurano[6,5-f][1,3]benzodioxol-6-one
  • (5r,5ar,8as,9s)-9-[[1-(benzyl)-4-piperidyl]amino]-5-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,8,8a,9-tetrahydro-5h-isobenzofurano[6,5-f][1,3]benzodioxol-6-one
  • 4'-o-demethyl-4-((4''-(1''-benzylpiperidinyl))amino)-4-desoxypodophyllotoxin
  • 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((1-(phenylmethyl)-4-piperidinyl)amino)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one (5r-(5alpha,5abeta,8aalpha,9beta))-
  • dbadptx
  • furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((1-(phenylmethyl)-4-piperidinyl)amino)-, (5r-(5alpha,5abeta,8aalpha,9beta))-
CAS Number(s)
  • 152833-13-1
InChIKey GQMFUALQPLOONU-QIXIFPRPSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N