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Dibenzo[b,p][1,4,15,18]tetraoxacyclooctacosin-6,15,22,31-tetrone, octacosahydro-, (4aR*,16aS*,20aR*,32aS*)-
SpectraBase Compound ID 498PnHi8koh
InChI InChI=1S/C32H52O8/c33-29-21-9-5-1-2-6-10-22-30(34)38-27-19-15-16-20-28(27)40-32(36)24-12-8-4-3-7-11-23-31(35)39-26-18-14-13-17-25(26)37-29/h25-28H,1-24H2/t25-,26+,27+,28-
InChIKey PCZFHWQQSRLWFU-KXSOJQAOSA-N
Mol Weight 564.8 g/mol
Molecular Formula C32H52O8
Exact Mass 564.366219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 94YgEcq90UA
Name Dibenzo[B,p][1,4,15,18]tetraoxacyclooctacosin-6,15,22,31-tetrone, octacosahydro-, (4ar*,16AS*,20AR*,32AS*)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 564.366218626 u
Formula C32H52O8
InChI InChI=1S/C32H52O8/c33-29-21-9-5-1-2-6-10-22-30(34)38-27-19-15-16-20-28(27)40-32(36)24-12-8-4-3-7-11-23-31(35)39-26-18-14-13-17-25(26)37-29/h25-28H,1-24H2/t25-,26+,27+,28-
InChIKey PCZFHWQQSRLWFU-KXSOJQAOSA-N
Molecular Weight 564.760 g/mol
SMILES C1(O[C@]2([C@@](OC(CCCCCCCCC(O[C@]3([C@@](OC(CCCCCCCC1)=O)(CCCC3)[H])[H])=O)=O)(CCCC2)[H])[H])=O