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Bicyclo[3.1.1]hepta-1,3,5-triene-2,3,6-triol, 7-tetracosyl-, triacetate
SpectraBase Compound ID LCfYD1ZP0Bq
InChI InChI=1S/C37H60O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32-33-28-34(41-29(2)38)37(43-31(4)40)35(32)36(33)42-30(3)39/h28,32H,5-27H2,1-4H3/t32-/m0/s1
InChIKey ZJSYXPAVIUJASK-YTTGMZPUSA-N
Mol Weight 600.9 g/mol
Molecular Formula C37H60O6
Exact Mass 600.43899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AlPtKVuijC3
Name Bicyclo[3.1.1]hepta-1,3,5-triene-2,3,6-triol, 7-tetracosyl-, triacetate
CAS Registry Number 55429-47-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H60O6
InChI InChI=1S/C37H60O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32-33-28-34(41-29(2)38)37(43-31(4)40)35(32)36(33)42-30(3)39/h28,32H,5-27H2,1-4H3/t32-/m0/s1
InChIKey ZJSYXPAVIUJASK-YTTGMZPUSA-N
Molecular Weight 600.881 g/mol
SMILES CCCCCCCCCCCCCCCCCCCCCCCC[C@]1(c2cc(c(c1c2OC(C)=O)OC(C)=O)OC(C)=O)[H]
SPLASH splash10-00di-3500920000-2ec423d06fc67a3b1127
Source of Spectrum T-67-5185-0
Synonyms 2,3-Bis(acetyloxy)-7-tetracosylbicyclo[3.1.1]hepta-1,3,5-trien-6-yl acetate (4,6-diacetoxy-7-tetracosyl-3-bicyclo[3.1.1]hepta-1,3,5-trienyl) acetate (4,6-diacetyloxy-7-tetracosyl-3-bicyclo[3.1.1]hepta-1,3,5-trienyl) acetate (4,6-diacetyloxy-7-tetracosyl-3-bicyclo[3.1.1]hepta-1,3,5-trienyl) ethanoate Acetic acid (4,6-diacetoxy-7-lignoceryl-3-bicyclo[3.1.1]hepta-1,3,5-trienyl) ester Acetic acid (4,6-diacetyloxy-7-tetracosyl-3-bicyclo[3.1.1]hepta-1,3,5-trienyl) ester
Wiley ID 65274