NCS
中国新化学物质查询
对异丙基杯[4]芳烃(25,26,27,28-tetrahydroxy-5,11,17,23-tetrakis(1-methylethyl)calix<4>arene)
MFCD00066279, 5,11,17,23-tetraisopropylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol, p-Isopropylcalix<4>arene, 4-iso-propyl-calix[4]arene
CAS号: 97998-55-5
IUPAC名称: 5,11,17,23-tetra(propan-2-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
分子式: C40H48O4
分子量: 592.80700
InChI: InChI=1S/C40H48O4/c1-21(2)25-9-29-17-31-11-26(22(3)4)13-33(38(31)42)19-35-15-28(24(7)8)16-36(40(35)44)20-34-14-27(23(5)6)12-32(39(34)43)18-30(10-25)37(29)41/h9-16,21-24,41-44H,17-20H2,1-8H3
InChIKey: UHLRPXXFPYMCAE-UHFFFAOYSA-N
SMILES: CC(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)C)C2)O)C(C)C)C(C)C)O
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