| SpectraBase Spectrum ID |
A6i31USX6mx |
| Name |
Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-(phenylmethoxy)-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoyl]oxy]-6-pentyl-, phenylmethyl ester |
| Alternate Name(s) |
4-[(benzyloxy)carbonyl]-3-hydroxy-5-pentylphenyl 4-(benzyloxy)-2-hydroxy-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoate
Benzyl 4-O-benzyl-4-O-demethylglomelliferate ethylene acetal
Benzyl 4-[4'-benzyloxy-2'-hydroxy-6'-{(2''-propyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-hydroxy-6-pentylbenzoate |
| CAS Registry Number |
127743-45-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H44O9 |
| InChI |
InChI=1S/C40H44O9/c1-3-5-8-17-30-21-33(24-35(42)36(30)38(43)46-27-29-15-11-7-12-16-29)49-39(44)37-31(25-40(18-4-2)47-19-20-48-40)22-32(23-34(37)41)45-26-28-13-9-6-10-14-28/h6-7,9-16,21-24,41-42H,3-5,8,17-20,25-27H2,1-2H3 |
| InChIKey |
JWIFOANWJSNSAT-UHFFFAOYSA-N |
| Molecular Weight |
668.783 g/mol |
| SMILES |
Oc1cc(OC(c2c(cc(cc2CC2(OCCO2)CCC)OCc2ccccc2)O)=O)cc(c1C(OCc1ccccc1)=O)CCCCC |
| SPLASH |
splash10-0006-9000000000-85a54b63e40fc7230ce5 |
| Source of Spectrum |
B-42-1979-34 |
| Wiley ID |
1413863 |
![Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-(phenylmethoxy)-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoyl]oxy]-6-pentyl-, phenylmethyl ester](/api/spectrum/A6i31USX6mx/structure.png?h=300&w=458 "Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-(phenylmethoxy)-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoyl]oxy]-6-pentyl-, phenylmethyl ester")
