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Substance Name: Sinaconitine A
RN: 944451-35-8
InChIKey: JKBVICSUYAADCM-IRJJQOKVSA-N

Note

  • 18-carbon norditerpenoid alkaloid from Aconitum sinomontanum.

Molecular Formula

  • C32-H42-N2-O10

Molecular Weight

  • 614.6878
 
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Names and Synonyms

Results Name

  • Sinaconitine A

Synonym

  • Sinaconitine A

Systematic Name

  • Benzoic acid, 2-(acetylamino)-, (1alpha,14alpha,16beta)-20-acetyl-7,8,9-trihydroxy-1,14,16-trimethoxyaconitan-4-yl ester

Registry Numbers

CAS Registry Number

  • 944451-35-8

System Generated Number

  • 0944451358

Structure Descriptors

InChI

1S/C32H42N2O10/c1-16(35)33-20-9-7-6-8-18(20)26(37)44-28-11-10-24(42-4)31-22-12-19-21(41-3)13-30(39,32(22,40)25(19)43-5)29(38,14-23(28)31)27(31)34(15-28)17(2)36/h6-9,19,21-25,27,38-40H,10-15H2,1-5H3,(H,33,35)/t19-,21+,22?,23-,24+,25+,27?,28-,29+,30+,31-,32+/m1/s1

InChIKey

JKBVICSUYAADCM-IRJJQOKVSA-N

Smiles

CO[C@H]1C[C@]2(O)[C@]3(O)C[C@@H]4[C@]5(CC[C@H](OC)[C@]4(C6C[C@H]1[C@H](OC)[C@]26O)C3N(C5)C(=O)C)OC(=O)c7ccccc7NC(=O)C