Chem
J-GLOBAL ID：200907016387205520   Nikkaji number：J261.799D

Rhizoxin

リゾキシン
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： C35H47NO9
Molecular formula furigana： C35-H47-N-O9
Molecular weight： 625.759
InChI： InChI=1S/C35H47NO9/c1-19(13-25-18-41-23(5)36-25)9-8-10-21(3)32(40-7)22(4)27-17-29(37)35(6)30(45-35)12-11-20(2)26-14-24(16-31(38)42-26)15-28-33(43-28)34(39)44-27/h8-13,18,20,22,24,26-30,32-33,37H,14-17H2,1-7H3/b9-8+,12-11+,19-13+,21-10+/t20-,22+,24+,26-,27+,28+,29+,30-,32+,33-,35-/m1/s1
InChI key： OWPCHSCAPHNHAV-QIPOKPRISA-N
SMILES： CO[C@H]([C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H]2C[C@H](CC(=O)O2)C[C@@H]2O[C@H]2C(=O)O1)/C(=C/C=C/C(=C/c1coc(C)n1)/C)/C
Systematic name  (3)：
  • (2R,3S,5S,7R,8R,9E,11R,12R,13S,15S,16S,17R,18E,20E,22E)-リゾキシン
  • (1S,3S,5R,8S,10S,11R,13R,14E,16R,17R)-10-ヒドロキシ-8-[(2S,3R,4E,6E,8E)-3-メトキシ-4,8-ジメチル-9-(2-メチル-1,3-オキサゾール-4-イル)ノナ-4,6,8-トリエン-2-イル]-11,16-ジメチル-4,7,12,18-テトラオキサテトラシクロ[15.3.1.03,5.011,13]ヘンイコサ-14-エン-6,19-ジオン
  • (1S,3S,5R,8S,10S,11R,13R,14E,16R,17R)-10-hydroxy-8-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.03,5.011,13]henicos-14-ene-6,19-dione
Other name (5)：
  • WF-1360
  • Rhizoxin
  • E-87/101
  • リゾキシン
  • (2R,3S,5S,7R,8R,9E,11R,12R,13S,15S,16S,17R,18E,20E,22E)-Rhizoxin
CAS registry number： 90996-54-6
Application (3)：
macrolide antibiotics ,  antitumor action ,  antifungal action
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