| SpectraBase Spectrum ID |
GuNotYnBmwG |
| Name |
Benzyl 2,4,4"-tri-O-benzylcrustinate |
| Alternate Name(s) |
Benzyl 2,4,4''-tri-O-benzylcrustinate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C52H44O11 |
| InChI |
InChI=1S/C52H44O11/c1-33-25-41(62-52(57)46-34(2)24-40(58-29-36-16-8-4-9-17-36)28-43(46)59-30-37-18-10-5-11-19-37)27-42(53)45(33)51(56)63-49-44(60-31-38-20-12-6-13-21-38)26-35(3)47(48(49)54)50(55)61-32-39-22-14-7-15-23-39/h4-28,53-54H,29-32H2,1-3H3 |
| InChIKey |
PXGYFWBJDWHHTC-UHFFFAOYSA-N |
| Molecular Weight |
844.913 g/mol |
| SMILES |
Oc1c(c(cc(c1OC(c1c(O)cc(cc1C)OC(=O)c1c(cc(OCc2ccccc2)cc1OCc1ccccc1)C)=O)OCc1ccccc1)C)C(=O)OCc1ccccc1 |
| SPLASH |
splash10-0006-9000000000-68756252301c2c6956a2 |
| Source of Spectrum |
B-51-1049-26 |
| Wiley ID |
745869 |
