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Virginiamycin S1
SpectraBase Compound ID GM3N970ItCn
InChI InChI=1S/C43H49N7O10/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)/t25?,29?,30?,31-,32?,34?,35?/m0/s1
InChIKey FEPMHVLSLDOMQC-UFWDHTKUSA-N
Mol Weight 823.9 g/mol
Molecular Formula C43H49N7O10
Exact Mass 823.354091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4oOYXceBCk
Name Virginiamycin S1
Alternate Name(s) N-(22-Benzyl-6-ethyl-15-hydroxy-10,23-dimethyl-5,8,12,17,21,24-hexaoxo-13-phenyl-1,2,3,5,6,7,8,9,10,13,15a,16,17,18,19,21,22,23,24,24a-icosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapent Factor S (antibiotic) Glycine, N-[(3-hydroxy-2-pyridinyl)carbonyl]-L-threonyl-D-.alpha.-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenyl-, .rho.-lactone Staphylomycin S Staphylomycin S1 Virginiamycin Factor S Virginiamycin S Antibiotic 1754Z3B EINECS 245-462-6
CAS Registry Number 23152-29-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H49N7O10
InChI InChI=1S/C43H49N7O10/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)/t25?,29?,30?,31-,32?,34?,35?/m0/s1
InChIKey FEPMHVLSLDOMQC-UFWDHTKUSA-N
Molecular Weight 823.904 g/mol
SMILES N1C([C@@]2(CC(CCN2C(C(N(C(C2CCCN2C(C(CC)NC(C(C(C)OC(C1c1ccccc1)=O)NC(c1ncccc1O)=O)=O)=O)=O)C)Cc1ccccc1)=O)=O)[H])=O
SPLASH splash10-00di-9520000000-8d2ed67260e8eb95e1ca
Source of Spectrum O-6-155-1
Wiley ID 66855