Chem
J-GLOBAL ID：200907003087402834   Nikkaji number：J2.341.129F

25,27-Bis(2-aminoethoxy)-26,28-dihydroxy-5,11,17,23-tetrasulfopentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene

25,27-ビス(2-アミノエトキシ)-26,28-ジヒドロキシ-5,11,17,23-テトラスルホペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
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： C32H34N2O16S4
Molecular formula furigana： C32-H34-N2-O16-S4
Molecular weight： 830.860
InChI： InChI=1S/C32H34N2O16S4/c33-1-3-49-31-21-5-17-9-25(51(37,38)39)11-19(29(17)35)7-23-15-28(54(46,47)48)16-24(32(23)50-4-2-34)8-20-12-26(52(40,41)42)10-18(30(20)36)6-22(31)14-27(13-21)53(43,44)45/h9-16,35-36H,1-8,33-34H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)
InChI key： QUQWXYRWXUXXOJ-UHFFFAOYSA-N
SMILES： NCCOc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)S(=O)(=O)O)c5O)S(=O)(=O)O)c4OCCN)S(=O)(=O)O)c3O)S(=O)(=O)O
Systematic name  (3)：
  • 25,27-ビス(2-アミノエトキシ)-26,28-ジヒドロキシ-5,11,17,23-テトラスルホペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
  • 25,27-ビス(2-アミノエトキシ)-26,28-ジヒドロキシペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5,11,17,23-テトラスルホン酸
  • 25,27-bis(2-aminoethoxy)-26,28-dihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,11,17,23-tetrasulfonic acid
Other name (1)：
  • 25,27-Bis(2-aminoethoxy)-26,28-dihydroxy-5,11,17,23-tetrasulfopentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
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