| SpectraBase Compound ID | 4DVKtBYXj9B |
|---|---|
| InChI | InChI=1S/C71H89N3O12/c1-3-4-5-6-7-8-9-10-11-12-13-14-30-41-61(75)85-69-66(81-49-56-37-26-18-27-38-56)65(80-48-55-35-24-17-25-36-55)67(82-50-57-39-28-19-29-40-57)70(68(69)83-51-58-42-44-59(77-2)45-43-58)86-71-62(73-74-72)64(79-47-54-33-22-16-23-34-54)63(76)60(84-71)52-78-46-53-31-20-15-21-32-53/h15-29,31-40,42-45,60,62-71,76H,3-14,30,41,46-52H2,1-2H3/t60-,62-,63-,64-,65-,66-,67+,68-,69-,70-,71+/m1/s1 |
| InChIKey | ZLILARLTYXRACG-PQCFUIEBSA-N |
| Mol Weight | 1176.5 g/mol |
| Molecular Formula | C71H89N3O12 |
| Exact Mass | 1175.644625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F0sbmE1GDDg |
|---|---|
| Name | 6-O-(2-AZIDO-3,6-DI-O-BENZYL-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-2-O-HEXADECANOYL-1-O-(PARA-METHOXYBENZYL)-3,4,5-TRI-O-BENZYL-MYO-INOSITOL;BETA-ISOMER |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H89N3O12 |
| InChI | InChI=1S/C71H89N3O12/c1-3-4-5-6-7-8-9-10-11-12-13-14-30-41-61(75)85-69-66(81-49-56-37-26-18-27-38-56)65(80-48-55-35-24-17-25-36-55)67(82-50-57-39-28-19-29-40-57)70(68(69)83-51-58-42-44-59(77-2)45-43-58)86-71-62(73-74-72)64(79-47-54-33-22-16-23-34-54)63(76)60(84-71)52-78-46-53-31-20-15-21-32-53/h15-29,31-40,42-45,60,62-71,76H,3-14,30,41,46-52H2,1-2H3/t60-,62-,63-,64-,65-,66-,67+,68-,69-,70-,71+/m1/s1 |
| InChIKey | ZLILARLTYXRACG-PQCFUIEBSA-N |
| Literature Reference Author | J.XUE,N.SHAO,Z.GUO |
| Literature Reference Citation | J.ORG.CHEM.,68,4020(2003) |
| Literature Reference DOI | 10.1021/jo034213t |
| Molecular Weight | 1176.501 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU23324 |