Chem
J-GLOBAL ID：200907097762277070   Nikkaji number：J354.403F

Cancentrine

カンセントリン
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： C36H34N2O7
Molecular formula furigana： C36-H34-N2-O7
Molecular weight： 606.675
InChI： InChI=1S/C36H34N2O7/c1-37-14-12-35-20-16-36(34(35)45-32-24(43-4)9-6-18(27(32)35)15-21(20)37)33(40)26-19-7-10-22(41-2)29(39)30(19)44-31-23(42-3)8-5-17-11-13-38(36)28(26)25(17)31/h5-10,20-21,34,39H,11-16H2,1-4H3/t20-,21+,34+,35-,36-/m1/s1
InChI key： XWPPHGONALRWBY-IQXPYEGDSA-N
SMILES： COc1ccc2C[C@H]3[C@H]4C[C@@]5([C@H]6Oc1c2[C@@]46CCN3C)N1CCc2ccc(OC)c3Oc4c(O)c(OC)ccc4C(=C1c23)C5=O
Systematic name  (3)：
  • 20-ヒドロキシ-7-オキソ-カンセントラン
  • (1R,2S,4S,5S,13S)-14'-ヒドロキシ-8,10',15'-トリメトキシ-14-メチル-6,12'-ジオキサ-4',14-ジアザスピロ[ペンタシクロ[9.5.1.01,5.02,13.07,17]ヘプタデカン-4,3'-ペンタシクロ[9.7.2.04,19.07,20.013,18]イコサン]-1'(19'),7(17),7',8,9',10,11'(20'),13',15',17'-デカエン-2'-オン
  • (1R,2S,4S,5S,13S)-14'-hydroxy-8,10',15'-trimethoxy-14-methyl-6,12'-dioxa-4',14-diazaspiro[pentacyclo[9.5.1.01,5.02,13.07,17]heptadecane-4,3'-pentacyclo[9.7.2.04,19.07,20.013,18]icosane]-1'(19'),7(17),7',8,9',10,11'(20'),13',15',17'-decaen-2'-one
Other name (3)：
  • カンセントリン
  • Cancentrine
  • 20-Hydroxy-7-oxo-cancentrane
CAS registry number： 29477-90-5
KEGG COMPOUND： C09370
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM