Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Puberaconitidine
RN: 83685-21-6
InChIKey: PFBAICRBYGSZFK-PHFDNSTCSA-N

Molecular Formula

  • C37-H52-N2-O11

Molecular Weight

  • 700.821
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Puberaconitidine

Synonym

  • Puberaconitidine

Systematic Name

  • Aconitane-4-methanol, 20-ethyl-7-hydroxy-1,6,8,14,16-pentamethoxy-, alpha-(2-((3-carboxy-1-oxopropyl)amino)benzoate), (1alpha,6beta,14alpha,16beta)-

Registry Numbers

CAS Registry Number

  • 83685-21-6

System Generated Number

  • 0083685216

Structure Descriptors

InChI

1S/C37H52N2O11/c1-7-39-18-34(19-50-32(43)20-10-8-9-11-23(20)38-26(40)12-13-27(41)42)15-14-25(46-3)36-22-16-21-24(45-2)17-35(49-6,28(22)29(21)47-4)37(44,33(36)39)31(48-5)30(34)36/h8-11,21-22,24-25,28-31,33,44H,7,12-19H2,1-6H3,(H,38,40)(H,41,42)/t21-,22-,24+,25-,28?,29+,30-,31?,33?,34+,35-,36?,37?/m1/s1

InChIKey

PFBAICRBYGSZFK-PHFDNSTCSA-N

Smiles

c1(ccccc1NC(CCC(O)=O)=O)C(OC[C@]12C[N@@]([C@@H]3[C@@]4([C@@H]5C[C@H]6[C@@H](OC)C[C@@](OC)([C@@]3(O)[C@@H](OC)[C@H]14)[C@@H]5[C@H]6OC)[C@@H](CC2)OC)CC)=O