SpectraBase Compound ID | H8mOGsqWU3m |
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InChI | InChI=1S/C37H40O8/c1-4-6-9-19-29-34(37(41)44-24-26-17-12-8-13-18-26)30(38)22-32(42-3)35(29)45-31-21-28(43-23-25-15-10-7-11-16-25)20-27(14-5-2)33(31)36(39)40/h7-8,10-13,15-18,20-22,38H,4-6,9,14,19,23-24H2,1-3H3,(H,39,40) |
InChIKey | OZVXFSGYNXTBAE-UHFFFAOYSA-N |
Mol Weight | 612.7 g/mol |
Molecular Formula | C37H40O8 |
Exact Mass | 612.272318 g/mol |
SpectraBase Spectrum ID | 8lejulGMLys |
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Name | 4-Benzyloxy-2-(3-benzyloxycarbonyl-4-hydroxy-6-methoxy-2-pentylphenoxy)-6-propylbenzoic acid |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 612.272318240 u |
Formula | C37H40O8 |
InChI | InChI=1S/C37H40O8/c1-4-6-9-19-29-34(37(41)44-24-26-17-12-8-13-18-26)30(38)22-32(42-3)35(29)45-31-21-28(43-23-25-15-10-7-11-16-25)20-27(14-5-2)33(31)36(39)40/h7-8,10-13,15-18,20-22,38H,4-6,9,14,19,23-24H2,1-3H3,(H,39,40) |
InChIKey | OZVXFSGYNXTBAE-UHFFFAOYSA-N |
Molecular Weight | 612.719 g/mol |
SMILES | C1(=C(C(OC=2C(=C(CCC)C=C(C2)OCC=2C=CC=CC2)C(=O)O)=C(C=C1O)OC)CCCCC)C(OCC1=CC=CC=C1)=O |