AG0039IL

60705-62-6 | 4-tert-Butylcalix[4]arene

AG0039IL

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CAS Number	60705-62-6
Catalog Number	AG0039IL(AGN-PC-0SXDHU)
Chemical Name	4-tert-Butylcalix[4]arene
IUPAC Name	5,11,17,23-tetratert-butylpentacyclo[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
InChI	InChI=1S/C44H56O4/c1-41(2,3)33-17-25-13-27-19-34(42(4,5)6)21-29(38(27)46)15-31-23-36(44(10,11)12)24-32(40(31)48)16-30-22-35(43(7,8)9)20-28(39(30)47)14-26(18-33)37(25)45/h17-24,45-48H,13-16H2,1-12H3
InChI Key	NVKLTRSBZLYZHK-UHFFFAOYSA-N
MDL Number	MFCD00066280
Molecular Formula	C44H56O4
Molecular Weight	648.9130
NSC Number	344251
SMILES	OC1=C(CC2=C(O)C(C3)=CC(C(C)(C)C)=C2)C=C(C(C)(C)C)C=C1CC4=C(O)C(CC5=C(O)C3=CC(C(C)(C)C)=C5)=CC(C(C)(C)C)=C4
Synonyms	4-tert-Butylcalix[4]arene, 60705-62-6, MFCD00066280, NSC344251, 157432-87-6, 5,11,17,23-Tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene, Tetra-tert-butyl(tetrahydroxy)calix[4]arene, 5,11,17,23-Tetratert-butylpentacyclo(19.3.1.1(3,7).1(9,13).1(15,19))octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol, 4-tert-Butylcalix[4]arene, 99%, Ethyl 2-{[5,11,17,23-tetra(tert-butyl)-26,27,28-tris(2-ethoxy-2-oxyethoxy)pentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,, NSC 344251, 4-t-butylcalix[4]arene, AC1L7HCG, tetratert-butyl[?]tetrol, p-tert-Butylcalix(4)arene, SCHEMBL9910710, 4-t-Butylcalix[4]arene,95%, KS-00000VJN, DTXSID70209528, NVKLTRSBZLYZHK-UHFFFAOYSA-N, 4-tert-Butylcalix[4]arene, 95%, BCP20510, C44H56O4, CS-M1853, KS-00000U4J, ZINC4203206, SBB057811, AKOS000278329, MCULE-8905046848, NSC-344251, VZ37018, AK164069, AK608420, AN-39451, AS-19166, SC-25374, ST023762, SY005562, AB0031762, FT-0619502, X4961, MFCD00066280 (95%), B50950, J-700381, Q-101992, F1170-0179, 5,11,17,23-tetra-tert-butylpentacyclo[19.3.1.1?,?.1?,??.1??,??]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol, 5,11,17,23-tetrakis(tert-butyl)pentacyclo[19.3.1.1<3,7>.1<9,13>.1<15,19>]octac osa-1(24),3(26),4,6,9(27),10,12,15(28),16,18,21(25),22-dodecaene-25,26,27,28-t etraol, 5,11,17,23-tetrakis(tert-butyl)pentacyclo[19.3.1.1<3,7>.1<9,13>.1<15,19>]octac osa-1(25),3,5,7(26),9(27),10,12,15,17,19(28),21,23-dodecaene-25,26,27,28-tetra ol, 5,11,17,23-tetratert-butylpentacyclo[19.3.1.1^{3,7.1^{9,13.1^{15,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol, 5,11,17,23-Tetratert-butylpentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol, Pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol, 5,11,17,23-tetrakis(1,1-dimethylethyl), exo-2,3-Epoxynorbornane, CID335377, 4-tert-Butylcalix[4]arene, 99% 5g, C44-H56-O4, B1809, 4-tert-Butylcalix[4]arene, 98% - 25G 25g, 4-tert-Butylcalix[4]arene, 99% - 25G 25g, 4-tert-Butylcalix[4]arene-tetraacetic acid tetraethyl ester, 97600-39-0, Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)C(C)(C)C)c5O)C(C)(C)C)c4O)C(C)(C)C)c3O)C(C)(C)C, Pentacyclo[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-25,26,27,28-tetrol, 5,11,17,23-tetrakis(1,1-dimethylethyl)-,

Complexity	840
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	648.418g/mol
Formal Charge	0
Heavy Atom Count	48
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	648.928g/mol
Monoisotopic Mass	648.418g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	80.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	13

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number