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Substance Name: Jesaconitine perchlorate
RN: 70806-59-6
UNII: 7H1YB8J46Z
InChIKey: MSHVGYFDENAKQB-MWBCLGEWSA-N

Molecular Weight

  • 776.224
 
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Names and Synonyms

Name of Substance

  • Jesaconitine perchlorate

Synonyms

  • Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-(4-methoxybenzoate), (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-, perchlorate (salt)
  • Jesaconitine perchlorate [MI]
  • UNII-7H1YB8J46Z

Registry Numbers

CAS Registry Number

  • 70806-59-6

FDA UNII

  • 7H1YB8J46Z

System Generated Number

  • 0070806596

Structure Descriptors

InChI

1S/C35H49NO12.ClHO4/c1-8-36-15-32(16-42-3)21(38)13-22(44-5)34-20-14-33(41)29(47-31(40)18-9-11-19(43-4)12-10-18)23(20)35(48-17(2)37,28(39)30(33)46-7)24(27(34)36)25(45-6)26(32)34;2-1(3,4)5/h9-12,20-30,38-39,41H,8,13-16H2,1-7H3;(H,2,3,4,5)/t20-,21-,22+,23-,24+,25+,26-,27-,28+,29-,30+,32+,33-,34+,35-;/m1./s1

InChIKey

MSHVGYFDENAKQB-MWBCLGEWSA-N

Smiles

CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@@](OC(=O)C)([C@H]5[C@H]6OC(=O)c7ccc(OC)cc7)[C@@H]([C@H](OC)[C@H]23)[C@@H]14.OCl(=O)(=O)=O