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Substance Name: Echimidine
RN: 520-68-3
UNII: 31NEL09379
InChIKey: HRSGCYGUWHGOPY-LYHHMGRNSA-N

Molecular Formula

  • C20-H31-N-O7

Molecular Weight

  • 397.4649
 
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Names and Synonyms

Name of Substance

  • Echimidine

Synonyms

  • 2-Butenoic acid, 2-methyl-, 7-((2,3-dihydroxy-2-(1-hydroxyethyl)-3-methyl-1-oxobutoxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester
  • Echimidine
  • HSDB 3483
  • UNII-31NEL09379

Systematic Name

  • 2-Butenoic acid, 2-methyl-, 7-((2,3-dihydroxy-2-(1-hydroxyethyl)-3-methyl-1-oxobutoxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (1R-(1alpha(Z),7(2R*,3S*),7abeta))-

Registry Numbers

CAS Registry Number

  • 520-68-3

FDA UNII

  • 31NEL09379

System Generated Number

  • 0000520683

Structure Descriptors

InChI

1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15+,16+,20-/m0/s1

InChIKey

HRSGCYGUWHGOPY-LYHHMGRNSA-N

Smiles

[C@@H]12N(CC[C@H]2OC(=O)/C(=C\C)C)CC=C1COC(=O)[C@](C(C)(C)O)([C@H](C)O)O