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2,8,14,20-tetraisobutylpentacyclo[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-4,6,10,12,16,18,22,24-octol

View entire compound with spectra: 1 MS (GC)

2,8,14,20-tetraisobutylpentacyclo[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-4,6,10,12,16,18,22,24-octol
SpectraBase Compound ID 97AmPz6zGNS
InChI InChI=1S/C44H56O8/c1-21(2)9-25-29-13-31(39(47)17-37(29)45)26(10-22(3)4)33-15-35(43(51)19-41(33)49)28(12-24(7)8)36-16-34(42(50)20-44(36)52)27(11-23(5)6)32-14-30(25)38(46)18-40(32)48/h13-28,45-52H,9-12H2,1-8H3
InChIKey AKJBYLPTAJPZLF-UHFFFAOYSA-N
Mol Weight 712.9 g/mol
Molecular Formula C44H56O8
Exact Mass 712.397519 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HEhT04Bqdgc
Name 2,8,14,20-tetraisobutylpentacyclo[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-4,6,10,12,16,18,22,24-octol
CAS Registry Number 118600-20-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H56O8
InChI InChI=1S/C44H56O8/c1-21(2)9-25-29-13-31(39(47)17-37(29)45)26(10-22(3)4)33-15-35(43(51)19-41(33)49)28(12-24(7)8)36-16-34(42(50)20-44(36)52)27(11-23(5)6)32-14-30(25)38(46)18-40(32)48/h13-28,45-52H,9-12H2,1-8H3
InChIKey AKJBYLPTAJPZLF-UHFFFAOYSA-N
Molecular Weight 712.924 g/mol
SMILES Oc1c2C(c3cc(C(c4cc(C(c5cc(C(c(c(c1)O)c2)CC(C)C)c(cc5O)O)CC(C)C)c(cc4O)O)CC(C)C)c(cc3O)O)CC(C)C
SPLASH splash10-0a4i-0000009100-e6357e95aea66bc0198c
Source of Spectrum J-54-1310-8
Synonyms 2,8,14,20-tetraisobutylpentacyclo[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-4,6,10,12,16,18,22,24-octol
Wiley ID 1415416