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Substance Name: 1-Oxodelphisine
RN: 55085-42-2
InChIKey: APBOLNYVKRXPAB-UHFFFAOYSA-N

Molecular Weight

  • 519.631
 
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Names and Synonyms

Results Name

  • 1-Oxodelphisine

Synonym

  • 1-Oxodelphisine

Systematic Name

  • Aconitan-1-one, 8,14-bis(acetyloxy)-20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, (6alpha,14alpha,16beta)-

Registry Numbers

CAS Registry Number

  • 55085-42-2

System Generated Number

  • 0055085422

Structure Descriptors

InChI

1S/C28H41NO8/c1-7-29-12-26(13-33-4)9-8-19(32)28-17-10-16-18(34-5)11-27(37-15(3)31,20(17)22(16)36-14(2)30)21(25(28)29)23(35-6)24(26)28/h16-18,20-25H,7-13H2,1-6H3

InChIKey

APBOLNYVKRXPAB-UHFFFAOYSA-N

Smiles

C(=O)(O[C@@]12[C@@H]3[C@@H]([C@@]45C(CC[C@@]6([C@@H]5[C@@H]([C@@H]2[C@@H]4[N@@](CC)C6)OC)COC)=O)C[C@@H]([C@@H](OC)C1)[C@@H]3OC(C)=O)C