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Oleoyl-neocryptotanshinone

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

Oleoyl-neocryptotanshinone
SpectraBase Compound ID IXJLQSaIOL6
InChI InChI=1S/C37H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31(38)42-26-27(2)32-34(39)29-23-24-30-28(21-20-25-37(30,3)4)33(29)36(41)35(32)40/h10-11,23-24,27,40H,5-9,12-22,25-26H2,1-4H3/b11-10+
InChIKey JSCRCULLQFXBRR-ZHACJKMWSA-N
Mol Weight 578.8 g/mol
Molecular Formula C37H54O5
Exact Mass 578.397125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6uo03CpQZO9
Name Oleoyl-neocryptotanshinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 578.397124834 u
Formula C37H54O5
InChI InChI=1S/C37H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31(38)42-26-27(2)32-34(39)29-23-24-30-28(21-20-25-37(30,3)4)33(29)36(41)35(32)40/h10-11,23-24,27,40H,5-9,12-22,25-26H2,1-4H3/b11-10+
InChIKey JSCRCULLQFXBRR-ZHACJKMWSA-N
Molecular Weight 578.834 g/mol
SMILES C1(=C(C(=O)C2=C(C1=O)C1=C(C=C2)C(C)(C)CCC1)C(COC(=O)CCCCCCCCC\C=C\CCCCCC)C)O