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(1S,3S,4S,5R,1'S)-(-)-4-Hydroxy-3-(1'-carboxy-1'-hydroxy-1'-[(R)-.alpha.-methylbenzylaminomethyl]methyl)bicyclo[3.1.0]hexane-1-carboxylic acid

View entire compound with spectra: 1 MS (GC)

(1S,3S,4S,5R,1'S)-(-)-4-Hydroxy-3-(1'-carboxy-1'-hydroxy-1'-[(R)-.alpha.-methylbenzylaminomethyl]methyl)bicyclo[3.1.0]hexane-1-carboxylic acid
SpectraBase Compound ID 1tvUUOkiGMc
InChI InChI=1S/C18H23NO6/c1-10(11-5-3-2-4-6-11)19-9-18(25,16(23)24)13-8-17(15(21)22)7-12(17)14(13)20/h2-6,10,12-14,19-20,25H,7-9H2,1H3,(H,21,22)(H,23,24)/t10-,12+,13+,14+,17+,18-/m1/s1
InChIKey JAUISCYWPGUFHG-ZMPVKDLDSA-N
Mol Weight 349.38 g/mol
Molecular Formula C18H23NO6
Exact Mass 349.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ap813j4nboj
Name (1S,3S,4S,5R,1'S)-(-)-4-Hydroxy-3-(1'-carboxy-1'-hydroxy-1'-[(R)-.alpha.-methylbenzylaminomethyl]methyl)bicyclo[3.1.0]hexane-1-carboxylic acid
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Formula C18H23NO6
InChI InChI=1S/C18H23NO6/c1-10(11-5-3-2-4-6-11)19-9-18(25,16(23)24)13-8-17(15(21)22)7-12(17)14(13)20/h2-6,10,12-14,19-20,25H,7-9H2,1H3,(H,21,22)(H,23,24)/t10-,12+,13+,14+,17+,18-/m1/s1
InChIKey JAUISCYWPGUFHG-ZMPVKDLDSA-N
Molecular Weight 349.383 g/mol
SMILES O[C@]1([C@]2([C@@](C[C@@]1([C@@](C(=O)O)(CN[C@@](c1ccccc1)(C)[H])O)[H])(C2)C(=O)O)[H])[H]
SPLASH splash10-0a6r-4900000000-d8ef28aa264f518ac036
Source of Spectrum QC-7-3476-21
Synonyms (1S,3S,4S,5R)-3-((1S)-1-carboxy-1-hydroxy-2-{[(1R)-1-phenylethyl]amino}ethyl)-4-hydroxybicyclo[3.1.0]hexane-1-carboxylic acid
Wiley ID 869554