Chem
J-GLOBAL ID：200907065747049739   Nikkaji number：J37.157B

Rodiasine

7-O-メチルアンチオキン
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： C38H42N2O6
Molecular formula furigana： C38-H42-N2-O6
Molecular weight： 622.762
InChI： InChI=1S/C38H42N2O6/c1-39-13-11-24-19-33(43-4)34-21-26(24)29(39)17-22-7-9-31(41)27(15-22)28-16-23(8-10-32(28)42-3)18-30-36-25(12-14-40(30)2)20-35(44-5)37(45-6)38(36)46-34/h7-10,15-16,19-21,29-30,41H,11-14,17-18H2,1-6H3/t29-,30?/m1/s1
InChI key： HIQZXOFBXJICTD-IDCGIGBZSA-N
SMILES： COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(c4)c4cc(C[C@@H]5N(C)CCc6cc(OC)c(OC)c(Oc1cc23)c56)ccc4OC
Systematic name  (3)：
  • ロジアシン
  • (1R,14S)-9,20,21,25-テトラメトキシ-15,30-ジメチル-23-オキサ-15,30-ジアザヘプタシクロ[22.6.2.13,7.18,12.114,18.027,31.022,33]ペンタトリアコンタ-3,5,7(35),8(34),9,11,18,20,22(33),24(32),25,27(31)-ドデカエン-6-オール
  • (1R,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3,5,7(35),8(34),9,11,18,20,22(33),24(32),25,27(31)-dodecaen-6-ol
Other name (3)：
  • Rodiasine
  • 7-O-メチルアンチオキン
  • 7-O-Methylantioquine
CAS registry number： 6391-64-6
KEGG COMPOUND： C09624
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