For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-Methoxy-5-methyl-naphthalene-1-carboxylic acid (S)-({ethoxycarbonyl-[(R)-5-hydroxymethyl-pyrrolidin-(2E)-ylidene]-methyl}-carbamoyl)-((S)-2-methyl-oxiranyl)-methyl ester

View entire compound with spectra: 1 MS (GC)

3-Methoxy-5-methyl-naphthalene-1-carboxylic acid (S)-({ethoxycarbonyl-[(R)-5-hydroxymethyl-pyrrolidin-(2E)-ylidene]-methyl}-carbamoyl)-((S)-2-methyl-oxiranyl)-methyl ester
SpectraBase Compound ID GoVovt0ndr8
InChI InChI=1S/C27H32N2O8/c1-5-35-26(33)22(21-10-9-16(13-30)28-21)29-24(31)23(27(3)14-36-27)37-25(32)20-12-17(34-4)11-19-15(2)7-6-8-18(19)20/h6-8,11-12,16,23,28,30H,5,9-10,13-14H2,1-4H3,(H,29,31)/b22-21+/t16-,23-,27+/m1/s1
InChIKey PAPNUHHUXMBSPC-FETWHZAHSA-N
Mol Weight 512.6 g/mol
Molecular Formula C27H32N2O8
Exact Mass 512.215866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KbEjFS3WDsb
Name 3-Methoxy-5-methyl-naphthalene-1-carboxylic acid (S)-({ethoxycarbonyl-[(R)-5-hydroxymethyl-pyrrolidin-(2E)-ylidene]-methyl}-carbamoyl)-((S)-2-methyl-oxiranyl)-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32N2O8
InChI InChI=1S/C27H32N2O8/c1-5-35-26(33)22(21-10-9-16(13-30)28-21)29-24(31)23(27(3)14-36-27)37-25(32)20-12-17(34-4)11-19-15(2)7-6-8-18(19)20/h6-8,11-12,16,23,28,30H,5,9-10,13-14H2,1-4H3,(H,29,31)/b22-21+/t16-,23-,27+/m1/s1
InChIKey PAPNUHHUXMBSPC-FETWHZAHSA-N
Molecular Weight 512.559 g/mol
SMILES N1[C@@](CO)(CC\C1=C\(NC([C@]([C@]1(OC1)C)(OC(c1c2c(c(C)ccc2)cc(c1)OC)=O)[H])=O)C(=O)OCC)[H]
SPLASH splash10-0002-0921000000-b48a9c04339ad9feae03
Source of Spectrum F-59-3037-h
Synonyms Ethyl 2-[(2S,3S)-3,4-Epooxy-2-(3-methoxy-5-methyl-1-naphthoyl)-3-methylbutyryl]amino-2-[(R)-5-(hydroxy)methylpyrrolidin-2-ylidene]acetate 3-Methoxy-5-methyl-1-naphthalenecarboxylic acid [(1S)-2-[[(1E)-2-ethoxy-1-[(5R)-5-(hydroxymethyl)-2-pyrrolidinylidene]-2-oxoethyl]amino]-1-[(2S)-2-methyl-2-oxiranyl]-2-oxoethyl] ester [(1S)-2-[[(1E)-2-ethoxy-1-[(5R)-5-(hydroxymethyl)pyrrolidin-2-ylidene]-2-oxoethyl]amino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxylate [(1S)-2-[[(1E)-2-ethoxy-1-[(5R)-5-(hydroxymethyl)pyrrolidin-2-ylidene]-2-oxo-ethyl]amino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxo-ethyl] 3-methoxy-5-methyl-naphthalene-1-carboxylate [(1S)-2-[[(1E)-2-ethoxy-1-[(5R)-5-(hydroxymethyl)pyrrolidin-2-ylidene]-2-oxidanylidene-ethyl]amino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxidanylidene-ethyl] 3-methoxy-5-methyl-naphthalene-1-carboxylate
Wiley ID 1677823