(1alpha,14alpha,16beta)-20-Ethyl-7,8,9-trihydroxy-1,14,16-trimethoxyaconitan-4-yl 2-acetamidobenzoate | CAS No. 1360-76-5

(1alpha,14alpha,16beta)-20-Ethyl-7,8,9-trihydroxy-1,14,16-trimethoxyaconitan-4-yl 2-acetamidobenzoate

Basic Information

CAS Number

1360-76-5

Molecular Formula

C32H44N2O9

Molecular Weight

600.71 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

132-134 ºC

Boiling Point

758.9°Cat760mmHg

Flash Point

412.8°C

Refractive Index

1.637

CCN1CC2(CCC(C34C2CC(C31)(C5(CC(C6CC4C5(C6OC)O)OC)O)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C

InChI

InChI=1S/C32H44N2O9/c1-6-34-16-28(43-26(36)18-9-7-8-10-20(18)33-17(2)35)12-11-24(41-4)31-22-13-19-21(40-3)14-30(38,32(22,39)25(19)42-5)29(37,27(31)34)15-23(28)31/h7-10,19,21-25,27,37-39H,6,11-16H2,1-5H3,(H,33,35)/t19-,21+,22+,23-,24+,25+,27?,28-,29-,30+,31-,32+/m1/s1

InChIKey

XTSVKUJYTUPYRJ-HMLOAIDSSA-N

LogP

1.3365000000000016

Topological Polar Surface Area

147.02 Ų

Hydrogen Bond Donor/Acceptor

4 / 11

Complexity

1170

Synonyms & References

English

  • AC-34671
  • SCHEMBL6413736
  • Ranaconitine
  • CHEBI:184102
  • 1360-76-5
  • AS-82430
  • [(1S,2S,3S,4S,5R,6S,8S,9R,13S,16S,17S)-11-ethyl-3,8,9-trihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate
  • Aconitane-4,7,8,9-tetrol,20-ethyl-1,14,16-trimethoxy-,4-(2-(acetylamino)benzoate),(1alpha,14alpha,16beta)
  • Ranaconitin
  • (1alpha,14alpha,16beta)-Aconitane-4,7,8,9-tetrol 20-ethyl-1,14,16-trimethoxy-4-[2-(acetylamino)benzoate]
  • 7-Hydroxylappaconitine
  • O4-(2-Acetamidobenzoyl)ranaconine
  • 4-[2-(Acetylamino)benzoyloxy]-20-ethyl-1α,14α,16β-trimethoxyaconitane-7,8,9-triol
  • 20-Ethyl-1α,14α,16β-trimethoxyaconitane-4,7,8,9-tetrol 4-[2-(acetylamino)benzoate]
  • [(1S,2S,3S,4S,6S,8S,9R,10S,13S,16S,17S)-11-Ethyl-3,8,9-trihydroxy-4,6,16-trimethoxy-11-azahexacyclo[
  • Dtxsid50929212

MDL Number

MFCD11040788

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