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Substance Name: Delavaconine
RN: 1356-51-0
InChIKey: HDJXHFQXBLLNBR-XMXXPDJRSA-N

Molecular Formula

  • C22-H35-N-O5

Molecular Weight

  • 393.5205
 
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Names and Synonyms

  • Aconitane-8,13,14-triol, 20-ethyl-1,16-dimethoxy-, (1alpha,14alpha,16beta)-
  • Delavaconine

Registry Numbers

CAS Registry Number

  • 1356-51-0

System Generated Number

  • 0001356510

Structure Descriptors

InChI

1S/C22H35NO5/c1-4-23-10-11-5-6-15(27-2)22-12(11)7-13(18(22)23)20(25)9-16(28-3)21(26)8-14(22)17(20)19(21)24/h11-19,24-26H,4-10H2,1-3H3/t11-,12?,13-,14?,15-,16-,17?,18?,19+,20-,21-,22-/m0/s1

InChIKey

HDJXHFQXBLLNBR-XMXXPDJRSA-N

Smiles

CCN1C[C@@H]2CC[C@@H]([C@@]34C2C[C@@H](C31)[C@]5(C[C@@H]([C@]6(CC4C5[C@H]6O)O)OC)O)OC