Cas no 122406-45-5 (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-25,27-diol,5,11,17,23-tetrakis(1,1-dimethylethyl)-26,28-dimethoxy-)

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-25,27-diol,5,11,17,23-tetrakis(1,1-dimethylethyl)-26,28-dimethoxy- structure
122406-45-5 structure
Product Name: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-25,27-diol,5,11,17,23-tetrakis(1,1-dimethylethyl)-26,28-dimethoxy-
CAS No:122406-45-5
MF:C46H60O4
MW:676.966214179993
MDL:MFCD00142526
CID:133515
PubChem ID:2724888
Update Time:2025-04-19

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-25,27-diol,5,11,17,23-tetrakis(1,1-dimethylethyl)-26,28-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • 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-25,27-diol,5,11,17,23-tetrakis(1,1-dimethylethyl)-26,28-dimethoxy-
    • 1,3-DIMETHOXY-4-TERT-BUTYLCALIX(4)ARENE
    • 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-do...
    • 1,3-DIMETHOXY-4-TERT-BUTYLCALIX[4]ARENE
    • 24,26-dimethoxy-25,27-dihydroxy-5,11,17,23-tetra(4-tert-butyl)calix[4]arene
    • 5,11,17,23-tetra(tert-butyl)-25,27-dimethoxy-26,28-dihydroxycalix[4]arene
    • 5,11,17,23-tetrakis(1,1-dimethylethyl)-25,27-dihydroxy-26,28-dimethoxycalix[4]arene
    • 5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-bis(methyloxy)calix[4]arenetitanium(IV) dic
    • 5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-dimethoxycalix[4]arene
    • 1,3-Dimethoxy-4-tert-butylcalix[4]arene,99%
    • 1,3-DIMETHOXY-4-TERT-BUTYLCALIX[4]ARENE 99%
    • 5,11,17,23-tetra-t-butyl-25,27-dihydroxy-26,28-dimethoxycalix[4]arene
    • 5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[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-25,27-diol
    • 122406-45-5
    • MFCD00142526
    • 1,3-Dimethoxy-2,4-dihydroxy-tert-butylcalix[4]arene
    • 15,35,55,75-Tetra-tert-butyl-32,72-dimethoxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,52-diol
    • E84135
    • AKOS003615734
    • 5,11,17,23-TETRA-TERT-BUTYL-26,28-DIMETHOXYPENTACYCLO[19.3.1.1(3),?.1?,(1)(3).1(1)?,(1)?]OCTACOSA-1(25),3,5,7(28),9(27),10,12,15,17,19(26),21,23-DODECAENE-25,27-DIOL
    • MDL: MFCD00142526
    • Inchi: 1S/C46H60O4/c1-43(2,3)35-19-27-15-31-23-37(45(7,8)9)25-33(41(31)49-13)17-29-21-36(44(4,5)6)22-30(40(29)48)18-34-26-38(46(10,11)12)24-32(42(34)50-14)16-28(20-35)39(27)47/h19-26,47-48H,15-18H2,1-14H3
    • InChI Key: SDNQRJYYUPMBIV-UHFFFAOYSA-N
    • SMILES: O(C)C1C2=CC(=CC=1CC1C(=C(C=C(C=1)C(C)(C)C)CC1C=C(C=C(C=1OC)CC1C(=C(C=C(C=1)C(C)(C)C)C2)O)C(C)(C)C)O)C(C)(C)C

Computed Properties

  • Exact Mass: 676.44900
  • Monoisotopic Mass: 676.449
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 50
  • Rotatable Bond Count: 6
  • Complexity: 949
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 13.6
  • Topological Polar Surface Area: 58.9?2

Experimental Properties

  • Color/Form: Not available
  • Density: 0.9426 (rough estimate)
  • Boiling Point: 651.37°C (rough estimate)
  • Flash Point: 384.9°C
  • Refractive Index: 1.6400 (estimate)
  • PSA: 58.92000
  • LogP: 10.98160
  • Solubility: Not available

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-25,27-diol,5,11,17,23-tetrakis(1,1-dimethylethyl)-26,28-dimethoxy- Security Information

  • Safety Instruction: S24/25
  • Safety Term:S24/25

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-25,27-diol,5,11,17,23-tetrakis(1,1-dimethylethyl)-26,28-dimethoxy- Pricemore >>

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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-25,27-diol,5,11,17,23-tetrakis(1,1-dimethylethyl)-26,28-dimethoxy- Related Literature

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