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Echinatine Oxide

Product Specifications

CAS Number

20267-93-0

Synonyms

Echinatine Oxide; Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, [(1S,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-4-oxido-1H-pyrrolizin-7-yl]methyl ester, (2S,3S)-; Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, N-

Hazard Statement

No Data Available

Smiles

CC(C)[C@](O)([C@H](C)O)C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12

Molecular Formula

C15 H25 N O6

Molecular Weight

315.362

InChI

InChI=1S/C15H25NO6/c1-9(2)15(20,10(3)17)14(19)22-8-11-4-6-16(21)7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13+,15-,16?/m0/s1

Additionnal Information

IUPAC name: [(7S,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate

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