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Substance Name: 13,15-Dideoxyaconitine
RN: 77757-14-3
InChIKey: YVVFVJVAHWNXNY-UHFFFAOYSA-N

Note

  • Alkaloid from Aconitum sungpanense.

Molecular Weight

  • 597.744
 
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Names and Synonyms

Name of Substance

  • 13,15-Dideoxyaconitine

Systematic Name

  • Aconitane-3,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,16beta)-

Registry Numbers

CAS Registry Number

  • 77757-14-3

System Generated Number

  • 0077757143

Structure Descriptors

InChI

1S/C34H47NO8/c1-7-35-17-32(18-38-3)14-13-24(40-5)34-22-15-21-23(39-4)16-33(43-19(2)36,26(30(34)35)28(41-6)29(32)34)25(22)27(21)42-31(37)20-11-9-8-10-12-20/h8-12,21-30H,7,13-18H2,1-6H3

InChIKey

YVVFVJVAHWNXNY-UHFFFAOYSA-N

Smiles

O=C(O[C@@H]1[C@@H]2[C@@H]3C[C@@H]1[C@@H](OC)C[C@@]2(OC(C)=O)[C@@H]1[C@@H](OC)[C@@H]2[C@@]43[C@@H]1[N@@](CC)C[C@@]2(COC)CC[C@@H]4OC)c1ccccc1