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(S)-2-((3aR,4R,6S,6aS)-6-Hydroxymethyl-2,2-dimethyl-tetrahydro-cyclope nta[1,3]dioxol-4-yl)-3-((R)-1-phenyl-ethylamino)-propane-1,2-diol

View entire compound with spectra: 1 MS (GC)

(S)-2-((3aR,4R,6S,6aS)-6-Hydroxymethyl-2,2-dimethyl-tetrahydro-cyclope nta[1,3]dioxol-4-yl)-3-((R)-1-phenyl-ethylamino)-propane-1,2-diol
SpectraBase Compound ID Lpv1OoMST9e
InChI InChI=1S/C20H31NO5/c1-13(14-7-5-4-6-8-14)21-11-20(24,12-23)16-9-15(10-22)17-18(16)26-19(2,3)25-17/h4-8,13,15-18,21-24H,9-12H2,1-3H3/t13-,15+,16-,17+,18-,20+/m1/s1
InChIKey MSJDNKFUQHGANO-NWYWEGMISA-N
Mol Weight 365.47 g/mol
Molecular Formula C20H31NO5
Exact Mass 365.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4GieK4zTAV
Name (S)-2-((3aR,4R,6S,6aS)-6-Hydroxymethyl-2,2-dimethyl-tetrahydro-cyclope nta[1,3]dioxol-4-yl)-3-((R)-1-phenyl-ethylamino)-propane-1,2-diol
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Formula C20H31NO5
InChI InChI=1S/C20H31NO5/c1-13(14-7-5-4-6-8-14)21-11-20(24,12-23)16-9-15(10-22)17-18(16)26-19(2,3)25-17/h4-8,13,15-18,21-24H,9-12H2,1-3H3/t13-,15+,16-,17+,18-,20+/m1/s1
InChIKey MSJDNKFUQHGANO-NWYWEGMISA-N
Molecular Weight 365.470 g/mol
SMILES OC[C@]1([C@]2([C@@]([C@]([C@@](CO)(CN[C@@](c3ccccc3)(C)[H])O)(C1)[H])(OC(O2)(C)C)[H])[H])[H]
SPLASH splash10-0a59-0900000000-4fd769463ce024cf60cf
Source of Spectrum QC-8-3427-14
Synonyms (1S,2R,3S,4S,1'S)-(+)-4-Hydroxymethyl-1-[1'-(N-phenylethylamino)-2',3'-di-hydroxyprop-2'-yl]-2,3-isopropylidenedioxycyclopentane (2S)-2-[(3aR,4R,6S,6aS)-6-(hydroxymethyl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-3-{[(1R)-1-phenylethyl]amino}-1,2-propanediol
Wiley ID 870185