Chem
J-GLOBAL ID:200907048205083602   Nikkaji number:J2.460.079C

3′′-O-Demethylsoreamicin A

3′′-O-デメチルスポレアマイシンA
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: C36H63NO11
Molecular formula furigana: C36-H63-N-O11
Molecular weight: 685.896
InChI: InChI=1S/C36H63NO11/c1-13-26-21(5)28(38)19(3)14-18(2)16-36(10,43)32(48-34-29(39)25(37(11)12)15-20(4)44-34)22(6)30(23(7)33(41)46-26)47-27-17-35(9,42)31(40)24(8)45-27/h14,18,20-27,29-32,34,39-40,42-43H,13,15-17H2,1-12H3/t18-,20+,21-,22-,23+,24-,25-,26?,27-,29+,30?,31-,32+,34-,35+,36+/m0/s1
InChI key: QJFOIRMZHLNEIM-BCASBMETSA-N
SMILES: CCC1OC(=O)[C@H](C)C(O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C=C(C)C(=O)[C@H]1C
Systematic name  (3):
  • 9,10-ジデヒドロ-3′-O-デメチル-9-デオキソ-11,12-ジデオキシ-11-オキソエリスロマイシン
  • (3R,4S,5S,6R,7R,9R,13S,14R)-4-{[(2R,4R,5S,6S)-4,5-ジヒドロキシ-4,6-ジメチルオキサン-2-イル]オキシ}-6-{[(2S,3R,4S,6R)-4-(ジメチルアミノ)-3-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-14-エチル-7-ヒドロキシ-3,5,7,9,11,13-ヘキサメチル-1-オキサシクロテトラデカ-10-エン-2,12-ジオン
  • (3R,4S,5S,6R,7R,9R,13S,14R)-4-{[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7-hydroxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradec-10-ene-2,12-dione
Other name (3):
  • 9,10-Didehydro-3′-O-demethyl-9-deoxo-11,12-dideoxy-11-oxoerythromycin
  • 3′′-O-デメチルスポレアマイシンA
  • 3′′-O-Demethylsoreamicin A
Thsaurus map:

Return to Previous Page