| SpectraBase Spectrum ID |
wnhn8c2GY5 |
| Name |
Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-(phenylmethoxy)-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoyl]oxy]-6-propyl-, phenylmethyl ester |
| Alternate Name(s) |
4-[(benzyloxy)carbonyl]-3-hydroxy-5-propylphenyl 4-(benzyloxy)-2-hydroxy-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoate
Benzyl 4-O-benzyl-4-O-demethylloxodellate ethylene acetal
Benzyl 4-[4'-benzyloxy-2'-hydroxy-6'-{(2''-propyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-hydroxy-6-propylbenzoate |
| CAS Registry Number |
127743-44-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C38H40O9 |
| InChI |
InChI=1S/C38H40O9/c1-3-11-28-19-31(22-33(40)34(28)36(41)44-25-27-14-9-6-10-15-27)47-37(42)35-29(23-38(16-4-2)45-17-18-46-38)20-30(21-32(35)39)43-24-26-12-7-5-8-13-26/h5-10,12-15,19-22,39-40H,3-4,11,16-18,23-25H2,1-2H3 |
| InChIKey |
JYZLXBMWVVLFPQ-UHFFFAOYSA-N |
| Molecular Weight |
640.729 g/mol |
| SMILES |
Oc1cc(OC(c2c(cc(cc2CC2(OCCO2)CCC)OCc2ccccc2)O)=O)cc(c1C(OCc1ccccc1)=O)CCC |
| SPLASH |
splash10-0006-9000000000-54e8a13fb135026cdcf7 |
| Source of Spectrum |
B-42-1979-33 |
| Wiley ID |
1412646 |
![Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-(phenylmethoxy)-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoyl]oxy]-6-propyl-, phenylmethyl ester](/api/spectrum/wnhn8c2GY5/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-propyl-, phenylmethyl ester")
