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Substance Name: 7-Angelylheliotrine
RN: 56317-17-0
UNII: 35B1173E6F
InChIKey: VCEBYLMAPKBSMV-DHTFDINKSA-N

Molecular Formula

  • C21-H33-N-O6

Molecular Weight

  • 395.4927
 
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Names and Synonyms

Name of Substance

  • 7-Angelylheliotrine

Synonyms

  • ((7S,8R)-7-((Z)-2-Methylbut-2-enoyl)oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl (2S,3R)-2-hydroxy-2-isopropyl-3-methoxy-butanoate
  • 2-Butenoic acid, 2-methyl-, (1S,7aR)-2,3,5,7a-tetrahydro-7-(((S)-2-hydroxy-2-((1R)-1-methoxyethyl)-3-methyl-1-oxobutoxy)methyl)-1H-pyrrolizin-1-yl ester, (2Z)-
  • 2-Butenoic acid, 2-methyl-, 2,3,5,7a-tetrahydro-7-((2-hydroxy-2-(1-methoxyethyl)-3-methyl-1-oxobutoxy)methyl)-1H-pyrrolizin-1-yl ester, (1S-(1alpha(Z),7(R*(S*)),7aalpha))-
  • 7-Angelylheliotrine
  • UNII-35B1173E6F

Registry Numbers

CAS Registry Number

  • 56317-17-0

FDA UNII

  • 35B1173E6F

System Generated Number

  • 0056317170

Structure Descriptors

InChI

1S/C21H33NO6/c1-7-14(4)19(23)28-17-9-11-22-10-8-16(18(17)22)12-27-20(24)21(25,13(2)3)15(5)26-6/h7-8,13,15,17-18,25H,9-12H2,1-6H3/b14-7-/t15-,17+,18-,21+/m1/s1

InChIKey

VCEBYLMAPKBSMV-DHTFDINKSA-N

Smiles

CO[C@H](C)[C@@](O)(C(C)C)C(=O)OCC1=CCN2CC[C@H](OC(=O)\C(=C/C)\C)[C@@H]12