Chem
J-GLOBAL ID：200907005304938929   Nikkaji number：J17.639G

1-Isotenuipine

1-イソテヌイピン
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： C38H40N2O7
Molecular formula furigana： C38-H40-N2-O7
Molecular weight： 636.745
InChI： InChI=1S/C38H40N2O7/c1-39-12-10-24-18-30(41-3)31-20-27(24)28(39)14-22-6-8-26(9-7-22)46-34-17-23(16-33-36(34)45-21-44-33)15-29-35-25(11-13-40(29)2)19-32(42-4)37(43-5)38(35)47-31/h6-9,16-20,28-29H,10-15,21H2,1-5H3/t28-,29+/m0/s1
InChI key： ABNXNHKPUGFTDJ-URLMMPGGSA-N
SMILES： COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)cc1OCOc51)cc4
Systematic name  (3)：
  • 6,6′,7-トリメトキシ-2,2′-ジメチル-12,13-メチレンビス(オキシ)ベルバマン
  • (1S,17R)-23,24,28-トリメトキシ-18,33-ジメチル-7,10,12,26-テトラオキサ-18,33-ジアザオクタシクロ[25.6.2.23,6.18,15.117,21.09,13.030,34.025,36]ノナトリアコンタ-3,5,8(37),9(13),14,21,23,25(36),27(35),28,30(34),38-ドデカエン
  • (1S,17R)-23,24,28-trimethoxy-18,33-dimethyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.23,6.18,15.117,21.09,13.030,34.025,36]nonatriaconta-3,5,8(37),9(13),14,21,23,25(36),27(35),28,30(34),38-dodecaene
Other name (3)：
  • 1-イソテヌイピン
  • 1-Isotenuipine
  • 6,6′,7-Trimethoxy-2,2′-dimethyl-12,13-methylenebis(oxy)berbaman
CAS registry number： 35306-97-9
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