| SpectraBase Spectrum ID |
DDzEG8I3Anw |
| Name |
(1S*,2S*,3S*)-1-(3-Methoxy-4-benzyloxybenzyl)-2,3-bis(hydroxymethyl)-3-hydroxy-6-methoxy-7-benzyloxytetralin |
| Comments |
Note: The molecular formula of the structure shown is C35H38O7 - which differs from the formula reported for the mass spectrum (C34H36O7) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H36O7 |
| InChI |
InChI=1S/C35H38O7/c1-39-32-16-26(13-14-31(32)41-21-24-9-5-3-6-10-24)15-29-28-18-34(42-22-25-11-7-4-8-12-25)33(40-2)17-27(28)19-35(38,23-37)30(29)20-36/h3-14,16-18,29-30,36-38H,15,19-23H2,1-2H3/t29-,30-,35-/m1/s1 |
| InChIKey |
KRBKXOTWSAQASH-WAINPOFTSA-N |
| Molecular Weight |
570.682 g/mol |
| SMILES |
O[C@]1(CO)[C@@]([C@](Cc2cc(OC)c(cc2)OCc2ccccc2)(c2cc(c(cc2C1)OC)OCc1ccccc1)[H])(CO)[H] |
| SPLASH |
splash10-0a4r-0600090000-5505158666f2772f2b81 |
| Source of Spectrum |
PS-0-2752-1 |
| Wiley ID |
786827 |
