| SpectraBase Spectrum ID |
7wpACz4FT5U |
| Name |
Echinatine - N-Oxide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H25NO6 |
| 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 |
| InChIKey |
DNAWGBOKUFFVMB-QPZBAOJMSA-N |
| Molecular Weight |
315.366 g/mol |
| SMILES |
OC(C(C(OCC=1[C@]2([N+](CC1)([O-])CC[C@@]2(O)[H])[H])=O)(C(C)C)O)C |
| SPLASH |
splash10-000i-5900000000-1f7b570d84535b8ca528 |
| Source of Spectrum |
X2-52-116-6 |
| Synonyms |
2-Hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid [(7S,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl ester
[(7S,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
[(7S,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate
[(7S,8R)-4-oxidanidyl-7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-(1-hydroxyethyl)-3-methyl-2-oxidanyl-butanoate |
| Wiley ID |
1602974 |
