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3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-6-(1-hydroxy-1-methylethyl)-7-[(phenylmethoxy)methyl]-, [1R-(1.alpha.,6.beta.,7.alpha.,7a.alpha.)]-
SpectraBase Compound ID GVI2YID7xsl
InChI InChI=1S/C18H25NO4/c1-18(2,22)14-9-19-16(21)8-15(20)17(19)13(14)11-23-10-12-6-4-3-5-7-12/h3-7,13-15,17,20,22H,8-11H2,1-2H3/t13-,14+,15+,17-/m0/s1
InChIKey FOLVKMMSRFZPIS-HWMZRRJGSA-N
Mol Weight 319.4 g/mol
Molecular Formula C18H25NO4
Exact Mass 319.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHTAaZHstFx
Name 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-6-(1-hydroxy-1-methylethyl)-7-[(phenylmethoxy)methyl]-, [1R-(1.alpha.,6.beta.,7.alpha.,7a.alpha.)]-
Alternate Name(s) (+)-7(S)-[(benzyloxy)methyl]-1(R)-hydroxy-6(S)-(2-hydroxyprop-2-yl)-7a(R)-hexahydro-3H-pyrrolizin-3-one (1R,6S,7S,7aS)-7-[(benzyloxy)methyl]-1-hydroxy-6-(1-hydroxy-1-methylethyl)hexahydro-3H-pyrrolo[1,2-a]pyrrol-3-one
CAS Registry Number 86534-25-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO4
InChI InChI=1S/C18H25NO4/c1-18(2,22)14-9-19-16(21)8-15(20)17(19)13(14)11-23-10-12-6-4-3-5-7-12/h3-7,13-15,17,20,22H,8-11H2,1-2H3/t13-,14+,15+,17-/m0/s1
InChIKey FOLVKMMSRFZPIS-HWMZRRJGSA-N
Molecular Weight 319.401 g/mol
SMILES OC([C@@]1(CN2[C@]([C@@](CC2=O)(O)[H])([C@]1(COCc1ccccc1)[H])[H])[H])(C)C
SPLASH splash10-054x-8900000000-767aa2aaf88b4ef6620e
Source of Spectrum J-50-241-48
Wiley ID 1319401