Chem
J-GLOBAL ID：200907093099172787   Nikkaji number：J6.157C

Daphnoline

ダフノリン
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： C35H36N2O6
Molecular formula furigana： C35-H36-N2-O6
Molecular weight： 580.681
InChI： InChI=1S/C35H36N2O6/c1-37-13-11-23-18-32(41-3)34(39)35-33(23)27(37)15-20-4-7-24(8-5-20)42-29-16-21(6-9-28(29)38)14-26-25-19-31(43-35)30(40-2)17-22(25)10-12-36-26/h4-9,16-19,26-27,36,38-39H,10-15H2,1-3H3/t26-,27+/m1/s1
InChI key： AKGWXHYTRBFUAD-SXOMAYOGSA-N
SMILES： COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6NCCc7cc(OC)c(Oc(c1O)c23)cc67)ccc5O)cc4
Systematic name  (3)：
  • 6,6′-ジメトキシ-2-メチルオキシアカンタン-7,12′-ジオール
  • (1R,14S)-20,25-ジメトキシ-15-メチル-8,23-ジオキサ-15,30-ジアザヘプタシクロ[22.6.2.29,12.13,7.114,18.027,31.022,33]ヘキサトリアコンタ-3,5,7(36),9,11,18(33),19,21,24,26,31,34-ドデカエン-6,21-ジオール
  • (1R,14S)-20,25-dimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3,5,7(36),9,11,18(33),19,21,24,26,31,34-dodecaene-6,21-diol
Other name (3)：
  • ダフノリン
  • Daphnoline
  • 6,6′-Dimethoxy-2-methyloxyacanthan-7,12′-diol
CAS registry number： 479-36-7
KEGG COMPOUND： C09418
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