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VIRGINIAMYCIN-M1;VM1
SpectraBase Compound ID mAQy46qXko
InChI InChI=1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1
InChIKey DAIKHDNSXMZDCU-FQTGFAPKSA-N
Mol Weight 525.6 g/mol
Molecular Formula C28H35N3O7
Exact Mass 525.2475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vw239qiNc9
Name virginiamycine M1
Alternate Name(s) (10R,11R,21S)-21-hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0(3,7)]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35N3O7
InChI InChI=1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1
InChIKey DAIKHDNSXMZDCU-FQTGFAPKSA-N
Molecular Weight 525.602 g/mol
SMILES N1C\C=C\C(=C\[C@](CC(Cc2nc(C(N3C(C(O[C@@]([C@@](\C=C\C1=O)(C)[H])(C(C)C)[H])=O)=CCC3)=O)co2)=O)(O)[H])C
SPLASH splash10-0a4j-0191040000-a1e8df3f0f4d1af04419
Source of Spectrum JC-454-390-2
Wiley ID 1402682