Chem
J-GLOBAL ID:200907049220570737   Nikkaji number:J2.070.256G

(13S,15R,17S,18S)-7,8-Dimethoxy-13-[(tosyloxy)methyl]-17-ethyl-1,11-diazapentacyclo[13.3.1.04,12.05,10.013,18]nonadecane-4(12),5(10),6,8-tetrene

(13S,15R,17S,18S)-7,8-ジメトキシ-13-[(トシルオキシ)メチル]-17-エチル-1,11-ジアザペンタシクロ[13.3.1.04,12.05,10.013,18]ノナデカン-4(12),5(10),6,8-テトラエン
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: C29H36N2O5S
Molecular formula furigana: C29-H36-N2-O5-S
Molecular weight: 524.680
InChI: InChI=1S/C29H36N2O5S/c1-5-20-12-19-15-29(17-36-37(32,33)21-8-6-18(2)7-9-21)27-22(10-11-31(16-19)28(20)29)23-13-25(34-3)26(35-4)14-24(23)30-27/h6-9,13-14,19-20,28,30H,5,10-12,15-17H2,1-4H3/t19-,20+,28+,29-/m1/s1
InChI key: YIKJMSSLCRTLIR-PEQJFTRVSA-N
SMILES: CC[C@H]1C[C@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@](COS(=O)(=O)c4ccc(C)cc4)(C2)[C@H]13
Systematic name  (3):
  • (13S,15R,17S,18S)-7,8-ジメトキシ-13-[(トシルオキシ)メチル]-17-エチル-1,11-ジアザペンタシクロ[13.3.1.04,12.05,10.013,18]ノナデカン-4(12),5(10),6,8-テトラエン
  • [(1S,15R,17S,18S)-17-エチル-6,7-ジメトキシ-3,13-ジアザペンタシクロ[13.3.1.02,10.04,9.013,18]ノナデカ-2(10),4,6,8-テトラエン-1-イル]メチル 4-メチルベンゼン-1-スルホナート
  • [(1S,15R,17S,18S)-17-ethyl-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-1-yl]methyl 4-methylbenzene-1-sulfonate
Other name (1):
  • (13S,15R,17S,18S)-7,8-Dimethoxy-13-[(tosyloxy)methyl]-17-ethyl-1,11-diazapentacyclo[13.3.1.04,12.05,10.013,18]nonadecane-4(12),5(10),6,8-tetrene
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