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(1R,3S,4S,5S,1'S)-(+)-4-Acetoxy-3-(1'-hydroxy-1'-methoxycarbonyl)-1'-[(R)-.alpha.-methylbenzylaminomethyl]methyl)-1-methoxycarbonylbicyclo[3.1.0]hexane

View entire compound with spectra: 1 MS (GC)

(1R,3S,4S,5S,1'S)-(+)-4-Acetoxy-3-(1'-hydroxy-1'-methoxycarbonyl)-1'-[(R)-.alpha.-methylbenzylaminomethyl]methyl)-1-methoxycarbonylbicyclo[3.1.0]hexane
SpectraBase Compound ID 5bUVhpjErgW
InChI InChI=1S/C22H29NO7/c1-13(15-8-6-5-7-9-15)23-12-22(27,20(26)29-4)17-11-21(19(25)28-3)10-16(21)18(17)30-14(2)24/h5-9,13,16-18,23,27H,10-12H2,1-4H3/t13-,16-,17-,18+,21-,22-/m1/s1
InChIKey UJAFQLVTOREXIM-OPEAVJDHSA-N
Mol Weight 419.47 g/mol
Molecular Formula C22H29NO7
Exact Mass 419.194402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HsFrWw789w
Name (1R,3S,4S,5S,1'S)-(+)-4-Acetoxy-3-(1'-hydroxy-1'-methoxycarbonyl)-1'-[(R)-.alpha.-methylbenzylaminomethyl]methyl)-1-methoxycarbonylbicyclo[3.1.0]hexane
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Formula C22H29NO7
InChI InChI=1S/C22H29NO7/c1-13(15-8-6-5-7-9-15)23-12-22(27,20(26)29-4)17-11-21(19(25)28-3)10-16(21)18(17)30-14(2)24/h5-9,13,16-18,23,27H,10-12H2,1-4H3/t13-,16-,17-,18+,21-,22-/m1/s1
InChIKey UJAFQLVTOREXIM-OPEAVJDHSA-N
Molecular Weight 419.474 g/mol
SMILES N(C[C@@]([C@@]1(C[C@]2([C@@]([C@@]1(OC(=O)C)[H])(C2)[H])C(=O)OC)[H])(C(=O)OC)O)[C@@](c1ccccc1)(C)[H]
SPLASH splash10-000f-9700000000-2012bd0b230ecd504e08
Source of Spectrum QC-7-3474-18
Synonyms (1R,3R,4S,5S,1'S)-(+)-4-Acetoxy-3-(1'-hydroxy-1'-methoxycarbonyl)-1'-[(R)-.alpha.-methylbenzylaminomethyl]methyl)-1-methoxycarbonylbicyclo[3.1.0]hexane
Wiley ID 869561