Chem
J-GLOBAL ID:200907069106036284
Nikkaji number:J66.391C
Thalidasin
タリダシン
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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:
C39 H44 N2 O7
Molecular formula furigana:
C39-H44-N2-O7
Molecular weight:
652.788
InChI:
InChI=1S/C39H44N2O7/c1-40-17-15-27-28-22-34(44-5)37(45-6)36(27)48-39-35-25(21-33(43-4)38(39)46-7)14-16-41(2)30(35)19-24-10-13-31(42-3)32(20-24)47-26-11-8-23(9-12-26)18-29(28)40/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1
InChI key:
SVQMVSCWYACSCP-KYJUHHDHSA-N
SMILES:
COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(Oc5c6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c6cc(OC)c5OC)c34
Systematic name (3):
6,6′,7,7′,12-ペンタメトキシ-2,2′-ジメチルタリダサン
(3S,22S)-10,11,15,16,27-ペンタメトキシ-4,21-ジメチル-13,29-ジオキサ-4,21-ジアザヘプタシクロ[28.2.2.114,18 .124,28 .03,8 .07,12 .022,36 ]ヘキサトリアコンタ-1(32),7(12),8,10,14(36),15,17,24,26,28(35),30,33-ドデカエン
(3S,22S)-10,11,15,16,27-pentamethoxy-4,21-dimethyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18 .124,28 .03,8 .07,12 .022,36 ]hexatriaconta-1(32),7(12),8,10,14(36),15,17,24,26,28(35),30,33-dodecaene
Other name (6):
タリダシン
O-メチルタルフェチジン
Thalidasine
O-Methylthalfetidine
Thalidasin
6,6′,7,7′,12-Pentamethoxy-2,2′-dimethylthalidasan
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CAS registry number:
16623-56-6
Regulation number (1):
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