Chem
J-GLOBAL ID：200907053081228953   Nikkaji number：J2.766.034G

Amataine

アマタイン
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： C43H48N4O6
Molecular formula furigana： C43-H48-N4-O6
Molecular weight： 716.879
InChI： InChI=1S/C43H48N4O6/c1-49-29-9-5-7-27-31(29)47-23-40-21-24-20-38-13-18-51-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)53-37(40)46-17-11-41-26-6-3-4-8-28(26)44-32(41)25(33(48)50-2)22-39(34(41)46)14-19-52-36(39)40/h3-9,24,30,34-37,44H,10-23H2,1-2H3/t24-,30-,34-,35-,36+,37+,38+,39-,40-,41-,42+,43+/m0/s1
InChI key： RZBFPDQKWUWUCK-JOLRFDBBSA-N
SMILES： COC(=O)C1=C2Nc3ccccc3[C@]32CCN2[C@H]3[C@]3(CCO[C@H]3[C@]34C[C@@H]5C[C@]67CCO[C@H]6CCN6CC[C@]8([C@H]76)c6cccc(OC)c6N(C3)[C@@]58O[C@@H]24)C1
Systematic name  (3)：
  • (8R,9R)-2′,8-エポキシ-2′-デオキシボブツシン
  • メチル (1S,2R,6R,17R,21R,23R,31R,37S,41R,43S,46S,47R)-26-メトキシ-3,22,38-トリオキサ-10,20,24,34-テトラアザテトラデカシクロ[22.20.1.16,17.131,34.01,21.02,6.09,17.011,16.023,31.023,43.025,30.037,41.020,47.041,46]ヘプタテトラコンタ-8,11,13,15,25,27,29-ヘプタエン-8-カルボキシラート
  • methyl (1S,2R,6R,17R,21R,23R,31R,37S,41R,43S,46S,47R)-26-methoxy-3,22,38-trioxa-10,20,24,34-tetraazatetradecacyclo[22.20.1.16,17.131,34.01,21.02,6.09,17.011,16.023,31.023,43.025,30.037,41.020,47.041,46]heptatetraconta-8,11,13,15,25,27,29-heptaene-8-carboxylate
Other name (5)：
  • (8R,9R)-2′,8-Epoxy-2′-deoxyvobtusine
  • Amataine
  • アマタイン
  • スブセッシリン
  • Subssesiline
CAS registry number： 31148-60-4
KEGG COMPOUND： C08433
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