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2,8,14,20-tetrabutylpentacyclo[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-tetrabutylpentacyclo[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 Hbk2y76DYRk
InChI InChI=1S/C44H56O8/c1-41(2,3)37-21-13-23(31(47)17-29(21)45)38(42(4,5)6)25-15-27(35(51)19-33(25)49)40(44(10,11)12)28-16-26(34(50)20-36(28)52)39(43(7,8)9)24-14-22(37)30(46)18-32(24)48/h13-20,37-40,45-52H,1-12H3
InChIKey ROFUUYBEQNANDO-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 Ih5u2VgaA7O
Name 2,8,14,20-tetrabutylpentacyclo[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 118600-19-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H56O8
InChI InChI=1S/C44H56O8/c1-41(2,3)37-21-13-23(31(47)17-29(21)45)38(42(4,5)6)25-15-27(35(51)19-33(25)49)40(44(10,11)12)28-16-26(34(50)20-36(28)52)39(43(7,8)9)24-14-22(37)30(46)18-32(24)48/h13-20,37-40,45-52H,1-12H3
InChIKey ROFUUYBEQNANDO-UHFFFAOYSA-N
Molecular Weight 712.924 g/mol
SMILES Oc1cc(c2cc1C(c1c(cc(c(C(c3c(cc(c(C(c4cc(C2C(C)(C)C)c(cc4O)O)C(C)(C)C)c3)O)O)C(C)(C)C)c1)O)O)C(C)(C)C)O
SPLASH splash10-0a4i-0000009100-2a2d0684c3a9f460fb27
Source of Spectrum J-54-1310-5
Synonyms 2,8,14,20-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-4,6,10,12,16,18,22,24-octol
Wiley ID 1415415