SpectraBase Spectrum ID |
A6k9q9a1uCJ |
Name |
benzyl 6-heptyl-4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-methoxybenzoate |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C39H50O9 |
InChI |
InChI=1S/C39H50O9/c1-5-7-9-10-14-18-29-22-32(25-34(44-4)36(29)37(41)45-27-28-16-12-11-13-17-28)48-38(42)35-30(23-31(43-3)24-33(35)40)26-39(19-15-8-6-2)46-20-21-47-39/h11-13,16-17,22-25,40H,5-10,14-15,18-21,26-27H2,1-4H3 |
InChIKey |
LAJZXMYTTWUIGV-UHFFFAOYSA-N |
Molecular Weight |
662.820 g/mol |
SMILES |
Oc1c(C(Oc2cc(OC)c(c(c2)CCCCCCC)C(OCc2ccccc2)=O)=O)c(CC2(OCCO2)CCCCC)cc(c1)OC |
SPLASH |
splash10-0006-9000000000-737410097e93d7843e5c |
Source of Spectrum |
B-50-482-19 |
Synonyms |
4-[(benzyloxy)carbonyl]-3-heptyl-5-methoxyphenyl 2-hydroxy-4-methoxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]benzoate
Benzyl 6-heptyl-4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-methoxybenzoate
Benzyl hyperconfluentate-ethylene acetal |
Wiley ID |
745684 |