Chem
J-GLOBAL ID：200907027608580749   Nikkaji number：J22.608D

Oxyacanthine

オキシアカンチン
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： C37H40N2O6
Molecular formula furigana： C37-H40-N2-O6
Molecular weight： 608.735
InChI： InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
InChI key： HGNHIFJNOKGSKI-WDYNHAJCSA-N
SMILES： COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5ccc(C[C@@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)cc5)c4
Systematic name  (3)：
  • 6,6′,7-トリメトキシ-2,2′-ジメチルオキシアカンタン-12′-オール
  • (1R,14S)-20,21,25-トリメトキシ-15,30-ジメチル-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),9,11,18,20,22(33),24(32),25,27(31),34-ドデカエン-6-オール
  • (1R,14S)-20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3,5,7(36),9,11,18,20,22(33),24(32),25,27(31),34-dodecaen-6-ol
Other name (3)：
  • オキシアカンチン
  • Oxyacanthine
  • 6,6′,7-Trimethoxy-2,2′-dimethyloxyacanthan-12′-ol
CAS registry number： 548-40-3
Regulation number (2)：
  • RR6475000
  • EINECS2089468
KEGG COMPOUND： C09598
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