| SpectraBase Spectrum ID |
BUUjzmcQrFf |
| Name |
Benzyl 4-[4'-benzyloxy-6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxybenzoyloxy]-6-heptyl-2-methoxybenzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
766.408083439 u |
| Formula |
C47H58O9 |
| InChI |
InChI=1S/C47H58O9/c1-4-6-8-10-18-24-37-28-40(31-42(51-3)44(37)45(49)53-34-36-22-16-13-17-23-36)56-46(50)43-38(32-47(54-26-27-55-47)25-19-11-9-7-5-2)29-39(30-41(43)48)52-33-35-20-14-12-15-21-35/h12-17,20-23,28-31,48H,4-11,18-19,24-27,32-34H2,1-3H3 |
| InChIKey |
ILSPEWHWHPTRHR-UHFFFAOYSA-N |
| Molecular Weight |
766.972 g/mol |
| SMILES |
C=1(C(OC2=CC(OC)=C(C(=C2)CCCCCCC)C(OCC=2C=CC=CC2)=O)=O)C(CC2(OCCO2)CCCCCCC)=CC(=CC1O)OCC1=CC=CC=C1 |
![Benzyl 4-[4'-benzyloxy-6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxybenzoyloxy]-6-heptyl-2-methoxybenzoate](/api/spectrum/BUUjzmcQrFf/structure.png?h=300&w=458 "Benzyl 4-[4'-benzyloxy-6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxybenzoyloxy]-6-heptyl-2-methoxybenzoate")
