Chem
J-GLOBAL ID：200907077134291969   Nikkaji number：J1.912.942J

(6S)-2-Methoxy-3,12,16-trimethyl-10,11-(methylenedioxy)-13-(tosyloxy)-6β,7,9,14,14aα,15β-hexahydro-6,15-epimino-5H-isoquino[3,2-b][3]benzazocine-1-ol

(6S)-2-メトキシ-3,12,16-トリメチル-10,11-(メチレンジオキシ)-13-(トシルオキシ)-6β,7,9,14,14aα,15β-ヘキサヒドロ-6,15-エピミノ-5H-イソキノ[3,2-b][3]ベンゾアゾシン-1-オール
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： C31H34N2O7S
Molecular formula furigana： C31-H34-N2-O7-S
Molecular weight： 578.680
InChI： InChI=1S/C31H34N2O7S/c1-16-6-8-21(9-7-16)41(35,36)40-29-18(3)30-31(39-15-38-30)23-14-33-13-20-11-19-10-17(2)28(37-5)27(34)25(19)26(32(20)4)24(33)12-22(23)29/h6-10,20,24,26,34H,11-15H2,1-5H3/t20-,24-,26-/m0/s1
InChI key： LRCKWTYCQUSFFS-RJWMVNQGSA-N
SMILES： COc1c(C)cc2C[C@H]3CN4Cc5c6OCOc6c(C)c(OS(=O)(=O)c6ccc(C)cc6)c5C[C@H]4[C@H](N3C)c2c1O
Systematic name  (3)：
  • (6S)-2-メトキシ-3,12,16-トリメチル-10,11-(メチレンジオキシ)-13-(トシルオキシ)-6β,7,9,14,14aα,15β-ヘキサヒドロ-6,15-エピミノ-5H-イソキノ[3,2-b][3]ベンゾアゾシン-1-オール
  • (1R,2S,16S)-22-ヒドロキシ-21-メトキシ-6,20,24-トリメチル-8,10-ジオキサ-14,24-ジアザヘキサシクロ[14.7.1.02,14.04,12.07,11.018,23]テトラコサ-4,6,11,18,20,22-ヘキサエン-5-イル 4-メチルベンゼン-1-スルホナート
  • (1R,2S,16S)-22-hydroxy-21-methoxy-6,20,24-trimethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4,6,11,18,20,22-hexaen-5-yl 4-methylbenzene-1-sulfonate
Other name (1)：
  • (6S)-2-Methoxy-3,12,16-trimethyl-10,11-(methylenedioxy)-13-(tosyloxy)-6β,7,9,14,14aα,15β-hexahydro-6,15-epimino-5H-isoquino[3,2-b][3]benzazocine-1-ol
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