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Isomucronulatol diacetate

View entire compound with spectra: 1 NMR

Isomucronulatol diacetate
SpectraBase Compound ID HlnMlHWXQwJ
InChI InChI=1S/C21H22O7/c1-12(22)27-16-6-5-14-9-15(11-26-19(14)10-16)17-7-8-18(24-3)21(25-4)20(17)28-13(2)23/h5-8,10,15H,9,11H2,1-4H3/t15-/m0/s1
InChIKey ILYVSBHTQMMVMM-HNNXBMFYSA-N
Mol Weight 386.4 g/mol
Molecular Formula C21H22O7
Exact Mass 386.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7weeOn1bFvK
Name Isomucronulatol diacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.136553041 u
Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-12(22)27-16-6-5-14-9-15(11-26-19(14)10-16)17-7-8-18(24-3)21(25-4)20(17)28-13(2)23/h5-8,10,15H,9,11H2,1-4H3/t15-/m0/s1
InChIKey ILYVSBHTQMMVMM-HNNXBMFYSA-N
Molecular Weight 386.400 g/mol
SMILES C1(=CC=C2C(=C1)OC[C@](C2)(C1=CC=C(C(=C1OC(=O)C)OC)OC)[H])OC(=O)C