Chem
J-GLOBAL ID：200907065944419840   Nikkaji number：J14.966G

Rifamycin B

リファマイシン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： C39H49NO14
Molecular formula furigana： C39-H49-N-O14
Molecular weight： 755.814
InChI： InChI=1S/C39H49NO14/c1-17-11-10-12-18(2)38(49)40-24-15-26(51-16-27(42)43)28-29(34(24)47)33(46)22(6)36-30(28)37(48)39(8,54-36)52-14-13-25(50-9)19(3)35(53-23(7)41)21(5)32(45)20(4)31(17)44/h10-15,17,19-21,25,31-32,35,44-47H,16H2,1-9H3,(H,40,49)(H,42,43)/b11-10-,14-13-,18-12-/t17-,19+,20+,21+,25-,31-,32+,35+,39-/m0/s1
InChI key： SQTCRTQCPJICLD-OFAZVZOZSA-N
SMILES： CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2c(OCC(=O)O)cc(NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)/C)c(O)c2c(O)c3C
Systematic name  (3)：
  • 4-O-(カルボキシメチル)リファマイシン
  • 2-{[(7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-13-(アセチルオキシ)-2,15,17,29-テトラヒドロキシ-11-メトキシ-3,7,12,14,16,18,22-ヘプタメチル-6,23-ジオキソ-8,30-ジオキサ-24-アザテトラシクロ[23.3.1.14,7.05,28]トリアコンタ-1,3,5(28),9,19,21,25(29),26-オクタエン-27-イル]オキシ}酢酸
  • 2-{[(7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-13-(acetyloxy)-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1,3,5(28),9,19,21,25(29),26-octaen-27-yl]oxy}acetic acid
Other name (10)：
  • ナンシマイシン
  • リホマイシンB
  • リファマイシンB
  • Nancimycin
  • Rifamycin B
Show all
CAS registry number： 13929-35-6
Regulation number (2)：
  • AH0525000
  • EINECS2376978
KEGG COMPOUND： C01848
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