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(-)-(3R,4S,5R)-3,4-bis(octanoyloxy)-1,7-dioxaspiro[4.4]nonan-8-one

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(-)-(3R,4S,5R)-3,4-bis(octanoyloxy)-1,7-dioxaspiro[4.4]nonan-8-one
SpectraBase Compound ID 7oi1fdSznRX
InChI InChI=1S/C23H38O7/c1-3-5-7-9-11-13-19(24)29-18-16-28-23(15-21(26)27-17-23)22(18)30-20(25)14-12-10-8-6-4-2/h18,22H,3-17H2,1-2H3/t18-,22+,23-/m1/s1
InChIKey GWZPRINJEHDRNP-YFXJRYMSSA-N
Mol Weight 426.6 g/mol
Molecular Formula C23H38O7
Exact Mass 426.261754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xoYekR1Yqr
Name (-)-(3R,4S,5R)-3,4-bis(octanoyloxy)-1,7-dioxaspiro[4.4]nonan-8-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.261753557 u
Formula C23H38O7
InChI InChI=1S/C23H38O7/c1-3-5-7-9-11-13-19(24)29-18-16-28-23(15-21(26)27-17-23)22(18)30-20(25)14-12-10-8-6-4-2/h18,22H,3-17H2,1-2H3/t18-,22+,23-/m1/s1
InChIKey GWZPRINJEHDRNP-YFXJRYMSSA-N
Molecular Weight 426.550 g/mol
SMILES [C@@]12([C@]([C@](OC(=O)CCCCCCC)(CO2)[H])(OC(=O)CCCCCCC)[H])CC(=O)OC1