Chem
J-GLOBAL ID：201007018920804605   Nikkaji number：J2.788.868B

Demethyl-desacetyl-rifamycin S

デメチルデスアセチルリファマイシンS
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： C34H41NO11
Molecular formula furigana： C34-H41-N-O11
Molecular weight： 639.698
InChI： InChI=1S/C34H41NO11/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/h8-14,16-18,21,26-28,36,38-41H,1-7H3,(H,35,44)/b9-8-,12-11-,15-10-/t14-,16+,17+,18-,21-,26-,27+,28+,34-/m0/s1
InChI key： VCKBLTRSSYIXLX-GBKHQDBHSA-N
SMILES： C[C@H]1/C=C\C=C(\C)/C(=O)NC2=CC(=O)c3c4C(=O)[C@](C)(Oc4c(C)c(O)c3C2=O)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-1,4-ジデオキシ-1,4-ジヒドロ-1,4-ジオキソ-35-ノルリファマイシン
  • (7S,9Z,11S,12R,13R,14R,15R,16R,17S,18S,19Z,21Z)-2,11,13,15,17-ペンタヒドロキシ-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-1,3,5(28),9,19,21,25-ヘプタエン-6,23,27,29-テトラオン
  • (7S,9Z,11S,12R,13R,14R,15R,16R,17S,18S,19Z,21Z)-2,11,13,15,17-pentahydroxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1,3,5(28),9,19,21,25-heptaene-6,23,27,29-tetrone
Other name (3)：
  • 25-O-Deacetyl-1,4-dideoxy-1,4-dihydro-1,4-dioxo-35-norrifamycin
  • Demethyl-desacetyl-rifamycin S
  • デメチルデスアセチルリファマイシンS
KEGG COMPOUND： C14724
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