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Sterterpenoic ester [n-non-2'-en-1'-yl 13-(15,19,19-trimethylcyclohex-14,16-dienyl)-2,6,10-trimethyltetradec-6-ol-13-on-1-oate]
SpectraBase Compound ID HlKmr6nXy8X
InChI InChI=1S/C34H58O4/c1-8-9-10-11-12-13-14-26-38-32(36)29(4)20-17-25-34(7,37)24-15-18-27(2)21-22-30(35)31-28(3)19-16-23-33(31,5)6/h13-14,16,19,27,29,37H,8-12,15,17-18,20-26H2,1-7H3/b14-13+
InChIKey LGSBMPVBUGKTMQ-BUHFOSPRSA-N
Mol Weight 530.8 g/mol
Molecular Formula C34H58O4
Exact Mass 530.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQcBLr92XwY
Name Sterterpenoic ester [N-non-2'-en-1'-yl 13-(15,19,19-trimethylcyclohex-14,16-dienyl)-2,6,10-trimethyltetradec-6-ol-13-on-1-oate]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 530.433510344 u
Formula C34H58O4
InChI InChI=1S/C34H58O4/c1-8-9-10-11-12-13-14-26-38-32(36)29(4)20-17-25-34(7,37)24-15-18-27(2)21-22-30(35)31-28(3)19-16-23-33(31,5)6/h13-14,16,19,27,29,37H,8-12,15,17-18,20-26H2,1-7H3/b14-13+
InChIKey LGSBMPVBUGKTMQ-BUHFOSPRSA-N
Molecular Weight 530.834 g/mol
SMILES C1(=C(C=CCC1(C)C)C)C(=O)CCC(CCCC(O)(CCCC(C(=O)OC\C=C\CCCCCC)C)C)C