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6,7-Seco-6,7-dioxo-4,5-dehydro-4-de(heptoxycarbonyl)asbestinane-6

View entire compound with spectra: 1 NMR, and 1 MS (GC)

6,7-Seco-6,7-dioxo-4,5-dehydro-4-de(heptoxycarbonyl)asbestinane-6
SpectraBase Compound ID ExScVekQ8cC
InChI InChI=1S/C22H32O6/c1-12-9-16-13(2)11-26-22(5,7-6-8-23)21-18(16)19(20(12)27-15(4)25)17(28-21)10-14(3)24/h6-8,12-13,16-21H,9-11H2,1-5H3/b7-6+/t12-,13-,16?,17?,18-,19+,20-,21?,22+/m1/s1
InChIKey IZBLVPXRSYOQND-PCFZPTEQSA-N
Mol Weight 392.5 g/mol
Molecular Formula C22H32O6
Exact Mass 392.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KV8ktmFAv5B
Name 6,7-Seco-6,7-dioxo-4,5-dehydro-4-de(heptoxycarbonyl)asbestinane-6
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.219888744 u
Formula C22H32O6
InChI InChI=1S/C22H32O6/c1-12-9-16-13(2)11-26-22(5,7-6-8-23)21-18(16)19(20(12)27-15(4)25)17(28-21)10-14(3)24/h6-8,12-13,16-21H,9-11H2,1-5H3/b7-6+/t12-,13-,16?,17?,18-,19+,20-,21?,22+/m1/s1
InChIKey IZBLVPXRSYOQND-PCFZPTEQSA-N
Molecular Weight 392.492 g/mol
SMILES [C@@]12([C@@]3(C([C@@](OC[C@](C3C[C@]([C@]1(OC(=O)C)[H])(C)[H])(C)[H])(\C=C\C=O)C)OC2CC(=O)C)[H])[H]