| SpectraBase Spectrum ID |
4pESvsizbrn |
| Name |
(2R,3R,4S,11'R,12'R)-2-Hydroxymethyl-3-hydroxy-4-(11'-hydroxy-12'-methyltetradecyl)-N-p-tolylsulfonylazetidine |
| Alternate Name(s) |
(2R,3R,4S,11'S,12'S)-2-Hydroxymethyl-3-hydroxy-4-(11'-hydroxy-12'-methyltetradecyl)-N-p-tolylsulfonylazetidine |
| Comments |
Note: The molecular formula of the structure shown is C26H45NO5S - which differs from the formula reported for the mass spectrum (C27H47NO7) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H47NO7 |
| InChI |
InChI=1S/C26H45NO5S/c1-4-21(3)25(29)14-12-10-8-6-5-7-9-11-13-23-26(30)24(19-28)27(23)33(31,32)22-17-15-20(2)16-18-22/h15-18,21,23-26,28-30H,4-14,19H2,1-3H3/t21-,23?,24-,25-,26-/m1/s1 |
| InChIKey |
SPNGWZNRLBGGMQ-UPKDVTSNSA-N |
| Molecular Weight |
483.708 g/mol |
| SMILES |
O[C@](CCCCCCCCCCC1N([C@@]([C@@]1(O)[H])(CO)[H])S(=O)(=O)c1ccc(cc1)C)([C@@](CC)(C)[H])[H] |
| SPLASH |
splash10-01ox-9066000000-db2c071ec2a12e39d84e |
| Source of Spectrum |
H1-47-346-20 |
| Wiley ID |
816110 |
