![TEMNOSIDE_A;1-O-(BETA-D-GLUCOPYRANOSYL)-D-(+)-(2-S,3-R)-2-[[2'-(R)-HYDROXYTRICOSANOYL]-AMIDO]-1,3-EICOSANEDIOL](/api/spectrum/8KquHaxBHFh/structure.png?h=300&w=458 "TEMNOSIDE_A;1-O-(BETA-D-GLUCOPYRANOSYL)-D-(+)-(2-S,3-R)-2-[[2'-(R)-HYDROXYTRICOSANOYL]-AMIDO]-1,3-EICOSANEDIOL")
| SpectraBase Compound ID | AdhwIg6rQG0 |
|---|---|
| InChI | InChI=1S/C49H97NO9/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(56)50-49(57,39-40-58-48-46(55)45(54)44(53)43(41-51)59-48)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h42-46,48,51-55,57H,3-41H2,1-2H3,(H,50,56)/t42-,43-,44-,45+,46-,48-,49-/m0/s1 |
| InChIKey | DFIIMMHZWMFAED-LXRMDHORSA-N |
| Mol Weight | 844.3 g/mol |
| Molecular Formula | C49H97NO9 |
| Exact Mass | 843.716334 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8KquHaxBHFh |
|---|---|
| Name | TEMNOSIDE_A;1-O-(BETA-D-GLUCOPYRANOSYL)-D-(+)-(2-S,3-R)-2-[[2'-(R)-HYDROXYTRICOSANOYL]-AMIDO]-1,3-EICOSANEDIOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H97NO9 |
| InChI | InChI=1S/C49H97NO9/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(56)50-49(57,39-40-58-48-46(55)45(54)44(53)43(41-51)59-48)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h42-46,48,51-55,57H,3-41H2,1-2H3,(H,50,56)/t42-,43-,44-,45+,46-,48-,49-/m0/s1 |
| InChIKey | DFIIMMHZWMFAED-LXRMDHORSA-N |
| Literature Reference Author | U.V.BABU,S.P.S.BHANDARI,H.S.GARG |
| Literature Reference Citation | J.NAT.PROD.,60,732(1997) |
| Literature Reference DOI | 10.1021/np960708k |
| Molecular Weight | 844.310 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ10740 |