Chem
J-GLOBAL ID：200907094481221301
Nikkaji number：J1.013.960K
27,28-Dioxylato-12,25-dimethyl-3,8,16,21-tetraazatricyclo[21.3.1.110,14]octacosa-1(27),2,8,10,12,14(28),15,21,23,25-decene
27,28-ジオキシラト-12,25-ジメチル-3,8,16,21-テトラアザトリシクロ[21.3.1.110,14]オクタコサ-1(27),2,8,10,12,14(28),15,21,23,25-デカエン
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
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
Molecular formula： C26H30N4[O-]2
Molecular formula furigana： C26-H30-N4-O2
Molecular weight： 430.553
InChI：
InChI=1S/C26H32N4O2/c1-19-11-21-15-27-7-3-5-9-29-17-23-13-20(2)14-24(26(23)32)18-30-10-6-4-8-28-16-22(12-19)25(21)31/h11-18,31-32H,3-10H2,1-2H3/p-2
InChI key：
QLHSTRCLDOUPHL-UHFFFAOYSA-L
SMILES：
Cc1cc2C=NCCCCN=Cc3cc(C)cc(C=NCCCCN=Cc(c1)c2[O-])c3[O-]
Systematic name (3)：
- 27,28-ジオキシラト-12,25-ジメチル-3,8,16,21-テトラアザトリシクロ[21.3.1.110,14]オクタコサ-1(27),2,8,10,12,14(28),15,21,23,25-デカエン
- 12,25-ジメチル-3,8,16,21-テトラアザトリシクロ[21.3.1.110,14]オクタコサ-1(27),2,8,10,12,14(28),15,21,23,25-デカエン-27,28-ビス(オラート)
- 12,25-dimethyl-3,8,16,21-tetraazatricyclo[21.3.1.110,14]octacosa-1(27),2,8,10,12,14(28),15,21,23,25-decaene-27,28-bis(olate)
- 27,28-Dioxylato-12,25-dimethyl-3,8,16,21-tetraazatricyclo[21.3.1.110,14]octacosa-1(27),2,8,10,12,14(28),15,21,23,25-decene
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