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Virginiamycin Complex

CAT: 0607-C5441-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-C5441-10Size:10 mg
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Description
a complex contains two streptogramin antibiotics
CAS Number
11006-76-1
Product Name Alternative
N-((6R,9S,10R,13S,15aS,22S,24aS)-22-benzyl-6-ethyl-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1]oxa[4,7,10,13,16]pentaazacyclononadecin-9-yl)-3-hydroxypicolinamide compound with (12Z,6R,7R,8E,13Z,15E,17
Sequence
Mikamycin,RP 7293,Stapyocine,Streptogramin
Field of Research
Microbiology & Virology Antibiotic
Purity
≥ 95.00%
Form
A crystalline solid
Solubility
≤15mg/ml in DMSO;30mg/ml in dimethyl formamide
Smiles
O=C1CCN(C([C@@H](N(C)C([C@@]23[H])=O)CC4=CC=CC=C4)=O)[C@@](C(N[C@@H](C5=CC=CC=C5)C(O[C@H](C)[C@H](NC(C6=NC=CC=C6O)=O)C(N[C@H](CC)C(N2CCC3)=O)=O)=O)=O)([H])C1.O=C(/C=C/[C@@H](C)[C@@H](C(C)C)OC(C7=CCCN7C(C8=COC(C9)=N8)=O)=O)NC/C=C\C(C)=C\[C@@H](O)CC9=O
Molecular Formula
C43H49N7O10·C28H35N3O10
Molecular Weight
1396.6
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Virginiamycin

Virginiamycin is a streptogramin antibiotic similar to pristinamycin and quinupristin/dalfopristin. It is a combination of pristinamycin IIA and virginiamycin S1. Virginiamycin is used in the fuel ethanol industry to prevent microbial contamination and in livestock to prevent and treat infections. According to a USDA study, antibiotics can save as much as 30% in feed costs among young swine.

CAS Number11006-76-1
PubChem CID127053480
IUPAC NameN-[(3S,6S,12R,15S,16R,19S,22S)-3-benzyl-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide;(10R,11R,12E,17E,19E,21S)-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone
Molecular FormulaC71H84N10O17
Molecular Weight1349.5
Topological Polar Surface Area364
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count19
Rotatable Bond Count7
Heavy Atom Count98
Formal Charge0
Complexity2640
SMILES
CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CCC(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=CC=C6)C.C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)/C
InChI
InChI=1S/C43H49N7O10.C28H35N3O7/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;1-17(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/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53);5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b;7-5+,10-9+,18-13+/t25-,29-,30+,31+,32+,34+,35+;19-,20-,26-/m11/s1
InChIKey
MVTQIFVKRXBCHS-SMMNFGSLSA-N
Chemical Structure
2D Structure
2D structure of Virginiamycin
CAS: 11006-76-1
CID: 127053480
Formula: C71H84N10O17
MW: 1349.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1349.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count19
Rotatable Bond Count7
Exact Mass1348.60159125
Monoisotopic Mass1348.60159125
Topological Polar Surface Area364 Ų
Heavy Atom Count98
Formal Charge0
Complexity2640
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes