(1R,2S,3S,4S,5R,6S,8R,12S,16R,19S,20R,21S)-14-Ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1~2,5~.0~1,13~.0~3,8~.0~8,12~.0~16,20~]docos-21-yl acetate | CAS No. 6836-11-9

(1R,2S,3S,4S,5R,6S,8R,12S,16R,19S,20R,21S)-14-Ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1~2,5~.0~1,13~.0~3,8~.0~8,12~.0~16,20~]docos-21-yl acetate

Basic Information

CAS Number

6836-11-9

Molecular Formula

C27H41NO8

Molecular Weight

507.62 g/mol

AD

Basic Physical Properties

Physical State

White powder

Melting Point

182-184 ºC

Boiling Point

595.84°C (rough estimate)

Density

1.32

Solubility

N/A

Refractive Index

1.6400 (estimate)

CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]5(C31)[C@]6(C[C@@H]([C@H]7C[C@@]4([C@@H]6[C@H]7OC)O)OC)OCO5)OC(=O)C)OC)C

InChI

InChI=1S/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17+,18+,19+,20-,21+,22?,23+,24+,25-,26-,27-/m1/s1

InChIKey

DTTPWCNKTMQMTE-DZZCPBQSSA-N

LogP

1.3499000000000017

Topological Polar Surface Area

95.92000000000003 Ų

Hydrogen Bond Donor/Acceptor

1 / 9

Complexity

979

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

  • Deltaline
  • 1α,14α,16β-Trimethoxy-4-methyl-7β,8-(methylenedioxy)-20-ethylaconitane-6β,10-diol 6-acetate
  • 20-Ethyl-1α,14α,16β-trimethoxy-4-methyl-7,8-[methylenebis(oxy)]aconitane-6β,10-diol 6-acetate
  • Deltaline【alkaloid】
  • (1alpha,6alpha,14alpha,16beta)-20-Ethyl-1,14,16-trimethoxy-4-methyl-7,8-[methylenebis(oxy)]aconitane-6,10-diol 6-acetate
  • Delphelatine
  • Deltamine 6-acetate
  • Eldelin
  • 6-acetyldelpheline
  • Eldeline
  • BCP25069
  • [(1R,2S,3S,5R,6S,8R,12S,16R,19S,20R,21S)-14-Ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-1

MDL Number

MFCD00274547

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