| SpectraBase Spectrum ID |
E7xJnNiS5Xy |
| Name |
Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-(phenylmethoxy)-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoyl]oxy]-6-(2-oxopentyl)-, phenylmethyl ester |
| Alternate Name(s) |
4-[(benzyloxy)carbonyl]-3-hydroxy-5-(2-oxopentyl)phenyl 4-(benzyloxy)-2-hydroxy-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoate
Benzyl 4-O-benzyl-4-O-demethylglomellate ethylene acetal
Benzyl 4-[4'-benzyloxy-2'-hydroxy-6'-{(2''-propyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-hydroxy-6-(2-oxopentyl)benzoate |
| CAS Registry Number |
127743-47-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H42O10 |
| InChI |
InChI=1S/C40H42O10/c1-3-11-31(41)19-29-20-33(23-35(43)36(29)38(44)47-26-28-14-9-6-10-15-28)50-39(45)37-30(24-40(16-4-2)48-17-18-49-40)21-32(22-34(37)42)46-25-27-12-7-5-8-13-27/h5-10,12-15,20-23,42-43H,3-4,11,16-19,24-26H2,1-2H3 |
| InChIKey |
VKVPIOSQASZWIA-UHFFFAOYSA-N |
| Molecular Weight |
682.766 g/mol |
| SMILES |
Oc1cc(OC(c2c(cc(cc2CC2(OCCO2)CCC)OCc2ccccc2)O)=O)cc(c1C(OCc1ccccc1)=O)CC(=O)CCC |
| SPLASH |
splash10-0006-9000000000-90a35139516ccf8b053a |
| Source of Spectrum |
B-42-1979-36 |
| Wiley ID |
1414405 |
![Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-(phenylmethoxy)-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoyl]oxy]-6-(2-oxopentyl)-, phenylmethyl ester](/api/spectrum/E7xJnNiS5Xy/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-(2-oxopentyl)-, phenylmethyl ester")
