Chemical Compound

[(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(3aR,3'aS,4R,6'S,7R,7'R,7aS,7'aS)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7'-hydroxyspiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6'-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4',7-dihydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate

CAS Registry Number 109545-84-8
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[(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(3aR,3'aS,4R,6'S,7R,7'R,7aS,7'aS)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7'-hydroxyspiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6'-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4',7-dihydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate 结构式
Primary record

[(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(3aR,3'aS,4R,6'S,7R,7'R,7aS,7'aS)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7'-hydroxyspiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6'-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4',7-dihydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate

库存
2,982 克
纯度
99.2 %
CAS
109545-84-8

化合物标识与属性

CAS
109545-84-8
PubChem CID
6917933
SMILES
C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@]3(C[C@H]2O)O[C@@H]4[C@H](O[C@H]([C@H]([C@]4(O3)C)O)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@@H]5OC)C)O[C@@H]6[C@H](O[C@H]([C@H]([C@H]6O)OC)O[C@H]7[C@@H]([C@H]8[C@H](CO7)O[C@@]9(O8)[C@H]1[C@H]([C@@H](CO9)OC(=O)C2=C(C=C(C=C2C)O)O)OCO1)O)COC)O)C)C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)OC)(C)[N+](=O)[O-])OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C
Canonical SMILES
COC[C@H]1O[C@@H](O[C@@H]2OC[C@@H]3O[C@@]4(OC[C@@H](OC(=O)c5c(C)cc(O)cc5O)[C@@H]5OCO[C@H]54)O[C@H]3[C@H]2O)[C@@H](OC)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@H]3O[C@]4(C[C@@H](O)[C@H](O[C@H]5C[C@@H](O[C@H]6C[C@](C)([N+](=O)[O-])[C@@H](OC)[C@H](C)O6)[C@H](OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)[C@@H](C)O5)[C@@H](C)O4)O[C@]3(C)[C@@H]2O)[C@H]1O

名称与同义词

  • Evernimicin
  • Ziracin
  • Everninomicin
  • evernimicina
  • evernimicine
  • evernimicinum
  • Everninomycin
  • Sch-27899
  • AC1OCETK
  • Evernimicin [USAN:INN]
  • Antibiotic 13-384-1
  • RefChem:139670
  • EVERNIMICIN [INN]
  • EVERNIMICIN [USAN]
  • Everninomicin 13384-1
  • SCH27899
  • EVERNIMICIN [MART.]
  • SCH 27899
  • UNII-5X287491KH
  • DTXSID60883194
  • C70H97Cl2NO38
  • CHEMBL263367
  • 5X287491KH
  • SCHEMBL29387659
  • GTPL10806
  • DTXCID001022748
  • 109545-84-8
  • C70-H97-Cl2-N-O38
  • CID6917933
  • J906.983F
  • Q27262985
  • [(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(3aR,3'aS,4R,6'S,7R,7'R,7aS,7'aS)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7'-hydroxyspiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6'-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4',7-dihydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
  • ((2R,3R,4R,6S)-6-((2R,2'R,3'S,3aR,4R,4'R,6S,7S,7aR)-6-((2S,3R,4R,5S,6R)-2-((2R,3S,4S,5S,6S)-6-((3aR,3'aS,4R,6'S,7R,7'R,7aS,7'aS)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7'-hydroxyspiro(3a,6,7,7a-tetrahydro-(1,3)dioxolo(4,5-c)pyran-4,2'-4,6,7,7a-tetrahydro-3aH-(1,3)dioxolo(4,5-c)pyran)-6'-yl)oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl)oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl)oxy-4',7-dihydroxy-2',4,7a-trimethylspiro(3a,4,6,7-tetrahydro-(1,3)dioxolo(4,5-c)pyran-2,6'-oxane)-3'-yl)oxy-4-((2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl)oxy-2-methyloxan-3-yl) 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
  • (2R,3R,4R,6S)-6-[(2R,3aR,4R,4'R,5'S,6S,6'R,7S,7aR)-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,7R,7'R,7aS,7'aS)-7'-(2,4-dihydroxy-6-methylbenzoyloxy)-octahydro-2'H,3aH-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-7-oloxy]-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy}-4,6',7a-trimethyl-tetrahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-4',7-dioloxy]-4-{[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy}-2-methyloxan-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
  • (2R,3R,4R,6S)-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7S,7aR)-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5S,6S)-6-({(2R,3aS,3'aR,6S,7R,7'R,7aS,7'aS)-7'-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-2'H,4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy}-4',7-dihydroxy-4,6',7a-trimethyltetrahydro-4H-spiro[[1,3]dioxolo[4,5-c]pyran-2,2'-oxan]-5'-yl]oxy}-4-{[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy}-2-methyloxan-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
  • -D-Mannopyranoside, O-(1R)-4-O-(2,4-dihydroxy-6-methylbenzoyl)-2,3-O-methylene-D-xylopyranosylidene-(13-4)--L-lyxopyranosyl O-2,3,6- trideoxy-3-C-methyl-4-O-methyl-3-nitro--L-arabino-hexopyranosyl-(13)-O-2,6-dideoxy-4-O-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoyl)-b- D-arabino-hexopyranosyl-(14)-O-(1R)-2,6-dideoxy-D-arabino-hexopyranosylidene-(13-4)-O-6-deoxy-3-C-methyl--D-mannopyranosyl-(13)-O-6-deoxy-4-O-methyl--D-galactopyranosyl-(14)-2,6-di-O-methyl-
  • [(2R,3aalpha,3 aalpha,7abeta,7 abeta)-7alpha-Hydroxy-7 beta-(2,4-dihydroxy-6-methylbenzoyloxy)octahydro-2,4 -spirobi[4H-1,3-dioxolo[4,5-c]pyran]-6beta-yl]2-O,6-O-dimethyl-4-O-[3-O-[(2R,3abeta)-4beta,6 beta,7aalpha-trimethyl-4 beta,7beta-dihydroxy-5 alpha-[3-O-[(3S)-3-C,4-O-dimethyl-3-nitro-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl]-4-O-(2-methoxy-3,5-dichloro-4-hydroxy-6-methylbenzoyl)-2,6-dideoxy-beta-D-arabino-hexopyranosyloxy]octahydrospiro[4H-1,3-dioxolo[4,5-c]pyran-2,2 -[2H]pyran]-6beta-yl]-4-O-methyl-beta-D-fucopyranosyl]-beta-D-mannopyranoside
  • O-(1R)-2,3-O-Methylene-4-O-(6-methyl-beta-resorcyloyl)-D-xylopyranosylidene-(1-3-4)-alpha-L-lyxopyranosyl O-2,3,6-trideoxy-3-C-methyl 4-O-methyl-3-nitro-alpha-L-arabino-hexopyranosyl-(1-3)-O-2,6-dideoxy-4-O-(3,5-dichloro-6-methoxy-4,2-cresotoyl)-beta-D-arabino-hexopyranosyl-(1-4)-O-(1R)-2,6-dideoxy-D-arabino-hexopyranosylidene-(1-3-4)-O-6-deoxy-3-C-methyl-beta-D-mannopyranosyl-(1-3)-O-6-deoxy-4-O-methyl-beta-D-galactopyranosyl-(1-4)-2,6-di-O-methyl-beta-D-mannopyranoside
  • O-(1R)-4-O-(2,4-Dihydroxy-6-methylbenzoyl)-2,3-O-methylene-D-xylopyranosylidene-(1-3-4)-alpha-L-lyxopyranosyl O-2,3,6-trideoxy-3-C-methyl 4-O-methyl-3-nitro-alpha-L-arabino-hexopyranosyl-(1-3)-O-2,6-dideoxy-4-O-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoyl)-beta-D-arabino-hexopyranosyl-(1-4)-O-(1R)-2,6-dideoxy-D-arabino-hexopyranosylidene-(1-3-4)-O-6-deoxy-3-C-methyl-beta-D-mannopyranosyl-(1-3)-O-6-deoxy-4-O-methyl-beta-D-galactopyranosyl-(1-4)-2,6-di-O-methyl-beta-D-mannopyranoside