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o-Anisamide, N-(15-benzyl-10-sec-butyl-14-hydroxy-3-isopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

o-Anisamide, N-(15-benzyl-10-sec-butyl-14-hydroxy-3-isopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido-
SpectraBase Compound ID AjLxcQlWYtC
InChI InChI=1S/C37H48N2O12/c1-9-21(4)29-35(45)48-22(5)27(39-32(42)24-16-13-17-25(38-19-40)30(24)47-8)33(43)50-28(20(2)3)34(44)49-26(18-23-14-11-10-12-15-23)31(41)37(6,7)36(46)51-29/h10-17,19-22,26-29,31,41H,9,18H2,1-8H3,(H,38,40)(H,39,42)
InChIKey MGPKGXHFCPPKBE-UHFFFAOYSA-N
Mol Weight 712.8 g/mol
Molecular Formula C37H48N2O12
Exact Mass 712.320725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HT6ZbLjE8Gy
Name o-Anisamide, N-(15-benzyl-10-sec-butyl-14-hydroxy-3-isopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido-
CAS Registry Number 22862-64-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H48N2O12
InChI InChI=1S/C37H48N2O12/c1-9-21(4)29-35(45)48-22(5)27(39-32(42)24-16-13-17-25(38-19-40)30(24)47-8)33(43)50-28(20(2)3)34(44)49-26(18-23-14-11-10-12-15-23)31(41)37(6,7)36(46)51-29/h10-17,19-22,26-29,31,41H,9,18H2,1-8H3,(H,38,40)(H,39,42)
InChIKey MGPKGXHFCPPKBE-UHFFFAOYSA-N
Molecular Weight 712.793 g/mol
SMILES OC1C(C(OC(C(OC(C(C(OC(C(OC1Cc1ccccc1)=O)C(C)C)=O)NC(c1cccc(c1OC)NC=O)=O)C)=O)C(C)CC)=O)(C)C
SPLASH splash10-003r-3941010000-1da2ee07f877d17f9be9
Source of Spectrum F-25-2213-2
Synonyms N-(15-benzyl-10-butan-2-yl-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-3-propan-2-yl-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido-2-methoxybenzamide N-(15-benzyl-14-hydroxy-3-isopropyl-2,5,9,12-tetraketo-7,13,13-trimethyl-10-sec-butyl-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido-2-methoxy-benzamide N-(15-benzyl-14-hydroxy-3-isopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-10-sec-butyl-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido-2-methoxy-benzamide N-[10-butan-2-yl-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-15-(phenylmethyl)-3-propan-2-yl-1,4,8,11-tetraoxacyclopentadec-6-yl]-3-formamido-2-methoxybenzamide N-[10-butan-2-yl-7,13,13-trimethyl-14-oxidanyl-2,5,9,12-tetrakis(oxidanylidene)-15-(phenylmethyl)-3-propan-2-yl-1,4,8,11-tetraoxacyclopentadec-6-yl]-3-formamido-2-methoxy-benzamide Neoantimycin, methyl ester
Wiley ID 1415403