Chem
J-GLOBAL ID:200907050780531905   Nikkaji number:J1.441.169K

N-[[[(6S)-1,10-Dihydroxy-2,4,11,13-tetramethoxy-3,12-dimethyl-7α-cyano-6,7,9,14,14aα,15-hexahydro-6α,15α-epimino-5H-isoquino[3,2-b][3]benzazocine]-9β-yl]methyl]carbamic acid 9H-fluorene-9-ylmethyl ester

N-[[[(6S)-1,10-ジヒドロキシ-2,4,11,13-テトラメトキシ-3,12-ジメチル-7α-シアノ-6,7,9,14,14aα,15-ヘキサヒドロ-6α,15α-エピミノ-5H-イソキノ[3,2-b][3]ベンゾアゾシン]-9β-イル]メチル]カルバミド酸9H-フルオレン-9-イルメチル
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: C42H44N4O8
Molecular formula furigana: C42-H44-N4-O8
Molecular weight: 732.834
InChI: InChI=1S/C42H44N4O8/c1-20-38(50-3)26-15-29-31(17-43)46-30(35(45-29)34(26)37(48)41(20)53-6)16-27-33(36(47)40(52-5)21(2)39(27)51-4)32(46)18-44-42(49)54-19-28-24-13-9-7-11-22(24)23-12-8-10-14-25(23)28/h7-14,28-32,35,45,47-48H,15-16,18-19H2,1-6H3,(H,44,49)/t29-,30-,31-,32-,35-/m0/s1
InChI key: FKCABHPFWGNJKM-IIXYZMIMSA-N
SMILES: COc1c(C)c(OC)c2C[C@H]3[C@@H]4N[C@@H](Cc5c(OC)c(C)c(OC)c(O)c45)[C@H](C#N)N3[C@@H](CNC(=O)OCC3c4ccccc4c4ccccc34)c2c1O
Systematic name  (3):
  • N-[[[(6S)-1,10-ジヒドロキシ-2,4,11,13-テトラメトキシ-3,12-ジメチル-7α-シアノ-6,7,9,14,14aα,15-ヘキサヒドロ-6α,15α-エピミノ-5H-イソキノ[3,2-b][3]ベンゾアゾシン]-9β-イル]メチル]カルバミド酸9H-フルオレン-9-イルメチル
  • (9H-フルオレン-9-イル)メチル N-{[(1R,2S,10R,12R,13S)-12-シアノ-8,19-ジヒドロキシ-5,7,16,18-テトラメトキシ-6,17-ジメチル-11,21-ジアザペンタシクロ[11.7.1.02,11.04,9.015,20]ヘンイコサ-4,6,8,15,17,19-ヘキサエン-10-イル]メチル}カルバマート
  • (9H-fluoren-9-yl)methyl N-{[(1R,2S,10R,12R,13S)-12-cyano-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17-dimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15,17,19-hexaen-10-yl]methyl}carbamate
Other name (1):
  • N-[[[(6S)-1,10-Dihydroxy-2,4,11,13-tetramethoxy-3,12-dimethyl-7α-cyano-6,7,9,14,14aα,15-hexahydro-6α,15α-epimino-5H-isoquino[3,2-b][3]benzazocine]-9β-yl]methyl]carbamic acid 9H-fluorene-9-ylmethyl ester
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