| SpectraBase Spectrum ID |
Hegts7Mz8TQ |
| Name |
benzyl 2-O-benzylisopatagonate propylene dithioacetal |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H48O7S2 |
| InChI |
InChI=1S/C42H48O7S2/c1-4-5-6-7-14-20-42(50-21-15-22-51-42)27-33-24-34(46-3)26-37(47-28-31-16-10-8-11-17-31)39(33)41(45)49-35-23-30(2)38(36(43)25-35)40(44)48-29-32-18-12-9-13-19-32/h8-13,16-19,23-26,43H,4-7,14-15,20-22,27-29H2,1-3H3 |
| InChIKey |
BBSKMEBDTUHEDW-UHFFFAOYSA-N |
| Molecular Weight |
728.959 g/mol |
| SMILES |
Oc1cc(OC(c2c(cc(cc2CC2(SCCCS2)CCCCCCC)OC)OCc2ccccc2)=O)cc(c1C(OCc1ccccc1)=O)C |
| SPLASH |
splash10-0006-9000000000-a6f3307e1196733726e1 |
| Source of Spectrum |
B-47-1335-0 |
| Synonyms |
4-[(benzyloxy)carbonyl]-3-hydroxy-5-methylphenyl 2-(benzyloxy)-6-[(2-heptyl-1,3-dithian-2-yl)methyl]-4-methoxybenzoate |
| Wiley ID |
1415872 |
