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Substance Name: Tortumine
RN: 51856-89-4
InChIKey: WDWHXMNLXNLBGT-UHFFFAOYSA-N

Molecular Formula

  • C28-H43-N-O8

Molecular Weight

  • 521.647
 
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Names and Synonyms

Results Name

  • Tortumine

Synonyms

  • Delcorine acetate
  • O-Acetyldelcorine
  • Tortumine

Systematic Name

  • Aconitan-6-ol, 20-ethyl-1,14,16-trimethoxy-4-(methoxymethyl)-7,8-methylenebis(oxy))-, acetate (ester), (1alpha,6beta,14alpha,16beta)-

Registry Numbers

CAS Registry Number

  • 51856-89-4

Other Registry Number

  • 928844-78-4

System Generated Number

  • 0051856894

Structure Descriptors

InChI

1S/C28H43NO8/c1-7-29-12-25(13-31-3)9-8-19(33-5)27-17-10-16-18(32-4)11-26(20(17)21(16)34-6)28(24(27)29,36-14-35-26)23(22(25)27)37-15(2)30/h16-24H,7-14H2,1-6H3

InChIKey

WDWHXMNLXNLBGT-UHFFFAOYSA-N

Smiles

O(C)[C@@H]1[C@@]23[C@@H]4[C@@H]5[C@@H]([C@@H](C4)[C@@H](C[C@@]45[C@@]5([C@@H]([C@@H]3[C@@](C[N@@]([C@@H]25)CC)(COC)CC1)OC(C)=O)OCO4)OC)OC