![1-O-BETA-D-GLUCOPYRANOSYL-(2S,3S,4R,8E)-2-[(2'R)-2-HYDROXYLBEHENOYLAMINO]-8-OCTADECENE-1,3,4-TRIOL](/api/spectrum/IdsCPQoJt0T/structure.png?h=300&w=458 "1-O-BETA-D-GLUCOPYRANOSYL-(2S,3S,4R,8E)-2-[(2'R)-2-HYDROXYLBEHENOYLAMINO]-8-OCTADECENE-1,3,4-TRIOL")
| SpectraBase Compound ID | G6LWIMA5085 |
|---|---|
| InChI | InChI=1S/C46H89NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39(50)45(55)47-37(36-56-46-44(54)43(53)42(52)40(35-48)57-46)41(51)38(49)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h25,27,37-44,46,48-54H,3-24,26,28-36H2,1-2H3,(H,47,55)/b27-25+/t37-,38+,39+,40-,41+,42-,43+,44-,46-/m0/s1 |
| InChIKey | UPNWIBPHYOJXOA-NVYUTKRFSA-N |
| Mol Weight | 816.2 g/mol |
| Molecular Formula | C46H89NO10 |
| Exact Mass | 815.648648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IdsCPQoJt0T |
|---|---|
| Name | 1-O-BETA-D-GLUCOPYRANOSYL-(2S,3S,4R,8E)-2-[(2'R)-2-HYDROXYLBEHENOYLAMINO]-8-OCTADECENE-1,3,4-TRIOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H89NO10 |
| InChI | InChI=1S/C46H89NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39(50)45(55)47-37(36-56-46-44(54)43(53)42(52)40(35-48)57-46)41(51)38(49)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h25,27,37-44,46,48-54H,3-24,26,28-36H2,1-2H3,(H,47,55)/b27-25+/t37-,38+,39+,40-,41+,42-,43+,44-,46-/m0/s1 |
| InChIKey | UPNWIBPHYOJXOA-NVYUTKRFSA-N |
| Literature Reference Author | T.LING,T.XIA,X.WAN,D.LI,X.WEI |
| Literature Reference Citation | MOLECULES,11,677(2006) |
| Literature Reference DOI | 10.3390/11090677 |
| Molecular Weight | 816.213 g/mol |
| Sample ID | 38603 |
| Solvent | C5D5N |