Chem
J-GLOBAL ID：200907063672761613   Nikkaji number：J1.892.199E

27-O-Demethylrifamycin SV

27-O-デメチルリファマイシンSV
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： C36H45NO12
Molecular formula furigana： C36-H45-N-O12
Molecular weight： 683.751
InChI： InChI=1S/C36H45NO12/c1-15-10-9-11-16(2)35(46)37-22-14-24(40)25-26(31(22)44)30(43)20(6)33-27(25)34(45)36(8,49-33)47-13-12-23(39)17(3)32(48-21(7)38)19(5)29(42)18(4)28(15)41/h9-15,17-19,23,28-29,32,39-44H,1-8H3,(H,37,46)/b10-9-,13-12-,16-11-/t15-,17+,18+,19+,23-,28-,29+,32+,36-/m0/s1
InChI key： OBIXNJCNRZELPA-VISOZLBMSA-N
SMILES： C[C@H]1/C=C\C=C(\C)/C(=O)Nc2cc(O)c3c4C(=O)[C@](C)(Oc4c(C)c(O)c3c2O)O/C=C\[C@H](O)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]1O
Systematic name  (3)：
  • 27-O-デメチルリファマイシンSV
  • (7S,9Z,11S,12R,13R,14R,15R,16R,17S,18S,19Z,21Z)-2,11,15,17,27,29-ヘキサヒドロキシ-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(29),2,4,9,19,21,25,27-オクタエン-13-イル アセタート
  • (7S,9Z,11S,12R,13R,14R,15R,16R,17S,18S,19Z,21Z)-2,11,15,17,27,29-hexahydroxy-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(29),2,4,9,19,21,25,27-octaen-13-yl acetate
Other name (1)：
  • 27-O-Demethylrifamycin SV
KEGG COMPOUND： C14727
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