Chem
J-GLOBAL ID：201007053872210854   Nikkaji number：J2.789.000H

Demethyl-desacetyl-rifamycin SV

デメチルデスアセ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： C34H43NO11
Molecular formula furigana： C34-H43-N-O11
Molecular weight： 641.714
InChI： InChI=1S/C34H43NO11/c1-14-9-8-10-15(2)33(44)35-20-13-22(37)23-24(30(20)42)29(41)19(6)31-25(23)32(43)34(7,46-31)45-12-11-21(36)16(3)27(39)18(5)28(40)17(4)26(14)38/h8-14,16-18,21,26-28,36-42H,1-7H3,(H,35,44)/b9-8-,12-11-,15-10-/t14-,16+,17+,18-,21-,26-,27+,28+,34-/m0/s1
InChI key： SZBBSPYCRZEOIN-GBKHQDBHSA-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](O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O
Systematic name  (3)：
  • 25-O-デアセチル-27-O-デメチルリファマイシン
  • (7S,9Z,11S,12R,13R,14R,15R,16R,17S,18S,19Z,21Z)-2,11,13,15,17,27,29-ヘプタヒドロキシ-3,7,12,14,16,18,22-ヘプタメチル-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-6,23-ジオン
  • (7S,9Z,11S,12R,13R,14R,15R,16R,17S,18S,19Z,21Z)-2,11,13,15,17,27,29-heptahydroxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaene-6,23-dione
Other name (3)：
  • 25-O-Deacetyl-27-O-demethylrifamycin
  • Demethyl-desacetyl-rifamycin SV
  • デメチルデスアセチルリファマイシンSV
KEGG COMPOUND： C14725
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