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Substance Name: Browniine perchlorate
RN: 5005-20-9
InChIKey: BAUMYAAOQVINKJ-KGLDQOBBSA-N

Molecular Formula

  • C25-H41-N-O7.Cl-H-O4

Molecular Weight

  • 568.0558
 
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Names and Synonyms

Results Name

  • Browniine perchlorate

Synonyms

  • 16-Ethyl-1,6,19-trimethoxy-4-(methoxymethyl)aconitane-7,8,10-triol (1beta,6beta,10alpha,19beta)-, perchlorate (salt)
  • Browniine perchlorate

Systematic Name

  • Aconitane-7,8,10-triol, 16-ethyl-1,6,19-trimethoxy-4-(methoxymethyl)-, (1beta,6beta,10alpha,19beta)-, perchlorate (salt)

Registry Numbers

CAS Registry Number

  • 5005-20-9

System Generated Number

  • 0005005209

Molecular Formulas

Molecular Formula

  • C25-H41-N-O7.Cl-H-O4

Molecular Formula Fragments

  • C25-H41-N-O7
  • Cl-H-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C25H41NO7.ClHO4/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24;2-1(3,4)5/h13-21,27-29H,6-12H2,1-5H3;(H,2,3,4,5)/t13-,14-,15+,16+,17-,18+,19-,20+,21?,22+,23-,24+,25+;/m1./s1

InChIKey

BAUMYAAOQVINKJ-KGLDQOBBSA-N

Smiles

CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)C14.OCl(=O)(=O)=O