Chem
J-GLOBAL ID：200907096218198071   Nikkaji number：J961.892I

Theonezolide B

テオネゾリドB
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C77H136N4O22S2
Molecular formula furigana： C77-H136-N4-O22-S2
Molecular weight： 1534.060
InChI： InChI=1S/C77H136N4O22S2/c1-48-31-34-62(89)39-57(84)23-15-22-55(82)21-14-13-19-50(3)75(103-105(96,97)98)74(54(7)101-77(95)67-46-100-72(79-67)29-18-28-58(85)38-56(83)24-17-27-61(88)43-66(99-8)35-32-48)81-76(94)52(5)37-51(4)69(93)44-64(91)41-60(87)26-16-25-59(86)40-63(90)42-65(92)45-71-49(2)33-36-70(102-71)68-47-104-73(80-68)30-12-10-9-11-20-53(6)78/h32,35,37,46-51,53-66,69-71,74-75,82-93H,9-31,33-34,36,38-45,78H2,1-8H3,(H,81,94)(H,96,97,98)/t48?,49?,50?,51?,53-,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64?,65?,66?,69?,70?,71?,74?,75?/m1/s1
InChI key： SDKSDFDVRKKSAK-QOXNAHEDSA-N
SMILES： COC1CC(O)CCCC(O)CC(O)CCCc2nc(co2)C(=O)OC(C)C(NC(=O)C(=CC(C)C(O)CC(O)CC(O)CCCC(O)CC(O)CC(O)CC2OC(CCC2C)c2csc(CCCCCC[C@@H](C)N)n2)C)C(OS(=O)(=O)O)C(C)CCCCC(O)CCCC(O)CC(O)CCC(C)C=C1
Systematic name  (3)：
  • N-[[2,5,19-トリメチル-4-(スルホオキシ)-10,14,16,24,28,30-ヘキサヒドロキシ-22-メトキシ-37-オキソ-34,36-(エポキシメテノ)-1-オキサ-35-アザシクロヘプタトリアコンタ-20,34-ジエン]-3-イル]-2,4-ジメチル-5,7,9,13,15,17-ヘキサヒドロキシ-18-[[6-[2-[(7R)-7-アミノオクチル]-4-チアゾリル]-3-メチルテトラヒドロ-2H-ピラン]-2-イル]-2-オクタデセンアミド
  • {5-[18-(6-{2-[(7R)-7-アミノオクチル]-1,3-チアゾール-4-イル}-3-メチルオキサン-2-イル)-5,7,9,13,15,17-ヘキサヒドロキシ-2,4-ジメチルオクタデカ-2-エンアミド]-12,16,18,26,30,32-ヘキサヒドロキシ-24-メトキシ-4,7,21-トリメチル-2-オキソ-3,37-ジオキサ-39-アザビシクロ[34.2.1]ノナトリアコンタ-1(38),22,36(39)-トリエン-6-イル}オキシダンスルホン酸
  • {5-[18-(6-{2-[(7R)-7-aminooctyl]-1,3-thiazol-4-yl}-3-methyloxan-2-yl)-5,7,9,13,15,17-hexahydroxy-2,4-dimethyloctadec-2-enamido]-12,16,18,26,30,32-hexahydroxy-24-methoxy-4,7,21-trimethyl-2-oxo-3,37-dioxa-39-azabicyclo[34.2.1]nonatriaconta-1(38),22,36(39)-trien-6-yl}oxidanesulfonic acid
Other name (3)：
  • N-[[2,5,19-Trimethyl-4-(sulfooxy)-10,14,16,24,28,30-hexahydroxy-22-methoxy-37-oxo-34,36-(epoxymetheno)-1-oxa-35-azacycloheptatriaconta-20,34-dien]-3-yl]-2,4-dimethyl-5,7,9,13,15,17-hexahydroxy-18-[[6-[2-[(7R)-7-aminooctyl]-4-thiazolyl]-3-methyltetrahydro-2H-pyran]-2-yl]-2-octadecenamide
  • テオネゾリドB
  • Theonezolide B
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM