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Desmethyl-destruxin B
SpectraBase Compound ID BQ4YeVxAtGP
InChI InChI=1S/C29H49N5O7/c1-9-18(6)24-27(38)31-23(17(4)5)29(40)33(8)19(7)25(36)30-13-12-22(35)41-21(15-16(2)3)28(39)34-14-10-11-20(34)26(37)32-24/h16-21,23-24H,9-15H2,1-8H3,(H,30,36)(H,31,38)(H,32,37)
InChIKey LKJMCPAAJZITNV-UHFFFAOYSA-N
Mol Weight 579.7 g/mol
Molecular Formula C29H49N5O7
Exact Mass 579.363199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjLGLv1HCyV
Name Desmethyl-destruxin B
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H49N5O7
InChI InChI=1S/C29H49N5O7/c1-9-18(6)24-27(38)31-23(17(4)5)29(40)33(8)19(7)25(36)30-13-12-22(35)41-21(15-16(2)3)28(39)34-14-10-11-20(34)26(37)32-24/h16-21,23-24H,9-15H2,1-8H3,(H,30,36)(H,31,38)(H,32,37)
InChIKey LKJMCPAAJZITNV-UHFFFAOYSA-N
Molecular Weight 579.739 g/mol
SMILES N1CCC(OC(C(N2C(C(NC(C(NC(C(N(C(C1=O)C)C)=O)C(C)C)=O)C(CC)C)=O)CCC2)=O)CC(C)C)=O
SPLASH splash10-05fr-9000150000-ec7549eaa741be925a28
Source of Spectrum X2-50-406-7
Synonyms 3-isobutyl-13-isopropyl-10,11-dimethyl-16-sec-butyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone 16-butan-2-yl-10,11-dimethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Wiley ID 1602222