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9'-o-Methylvibsanyl 3,4',9-triacetate

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

9'-o-Methylvibsanyl 3,4',9-triacetate
SpectraBase Compound ID HOSgph6VUyJ
InChI InChI=1S/C26H26O9/c1-15(27)32-10-6-7-18-11-20-21(14-30-4)25(35-26(20)24(12-18)34-17(3)29)19-8-9-22(33-16(2)28)23(13-19)31-5/h6-9,11-13H,10,14H2,1-5H3/b7-6+
InChIKey ATJDDJSHDDCPFP-VOTSOKGWSA-N
Mol Weight 482.49 g/mol
Molecular Formula C26H26O9
Exact Mass 482.157682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4V1NZO7qr1z
Name 9'-o-Methylvibsanyl 3,4',9-triacetate
Comments Computed using HOSE algorithm
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Exact Mass 482.157682408 u
Formula C26H26O9
InChI InChI=1S/C26H26O9/c1-15(27)32-10-6-7-18-11-20-21(14-30-4)25(35-26(20)24(12-18)34-17(3)29)19-8-9-22(33-16(2)28)23(13-19)31-5/h6-9,11-13H,10,14H2,1-5H3/b7-6+
InChIKey ATJDDJSHDDCPFP-VOTSOKGWSA-N
Molecular Weight 482.485 g/mol
SMILES C1(=C(C=2C=C(\C=C\COC(=O)C)C=C(C2O1)OC(=O)C)COC)C=1C=C(OC)C(=CC1)OC(=O)C