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Neoantimycin

View entire compound with spectra: 2 MS (GC)

Neoantimycin
SpectraBase Compound ID 9mF45o3y7Y5
InChI InChI=1S/C36H46N2O12/c1-8-20(4)29-34(45)47-21(5)26(38-31(42)23-15-12-16-24(27(23)40)37-18-39)32(43)49-28(19(2)3)33(44)48-25(17-22-13-10-9-11-14-22)30(41)36(6,7)35(46)50-29/h9-16,18-21,25-26,28-30,40-41H,8,17H2,1-7H3,(H,37,39)(H,38,42)
InChIKey JIJATTFJYJZEBT-UHFFFAOYSA-N
Mol Weight 698.8 g/mol
Molecular Formula C36H46N2O12
Exact Mass 698.305075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dg89h62FbL
Name Neoantimycin
CAS Registry Number 22862-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H46N2O12
InChI InChI=1S/C36H46N2O12/c1-8-20(4)29-34(45)47-21(5)26(38-31(42)23-15-12-16-24(27(23)40)37-18-39)32(43)49-28(19(2)3)33(44)48-25(17-22-13-10-9-11-14-22)30(41)36(6,7)35(46)50-29/h9-16,18-21,25-26,28-30,40-41H,8,17H2,1-7H3,(H,37,39)(H,38,42)
InChIKey JIJATTFJYJZEBT-UHFFFAOYSA-N
Molecular Weight 698.766 g/mol
SMILES OC1C(C(OC(C(OC(C(C(OC(C(OC1Cc1ccccc1)=O)C(C)C)=O)NC(c1cccc(c1O)NC=O)=O)C)=O)C(C)CC)=O)(C)C
SPLASH splash10-000i-3920000000-d4cd9d0e8f7ba6d12ef1
Source of Spectrum W-17-477-25
Synonyms Benzamide, 3-(formylamino)-2-hydroxy-N-[14-hydroxy-7,13,13-trimethyl-3-(1-methylethyl)-10-(1-methylpropyl)-2,5,9,12-tetraoxo-15-(phenylmethyl)-1,4,8,11-tetraoxacyclopentadec-6-yl]- 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-hydroxybenzamide 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-hydroxy-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-hydroxy-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-hydroxybenzamide 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-oxidanyl-benzamide Salicylamide, 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-
Wiley ID 1414991