![PORTULACEREBROSIDE-D;1-O-BETA-D-GLUCOPYRANOSYL-(2S,3R,4E)-2-[(2'R)-2-HYDROXYLDOCOSANAMIDEAMINO]-16-METHYL-4-NONADECENE-1,3-DIOL](/api/spectrum/DYLEzrv0vly/structure.png?h=300&w=458 "PORTULACEREBROSIDE-D;1-O-BETA-D-GLUCOPYRANOSYL-(2S,3R,4E)-2-[(2'R)-2-HYDROXYLDOCOSANAMIDEAMINO]-16-METHYL-4-NONADECENE-1,3-DIOL")
| SpectraBase Compound ID | DO3JcaUp9ZK |
|---|---|
| InChI | InChI=1S/C47H91NO9/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-35-41(51)46(55)48-39(37-56-47-45(54)44(53)43(52)42(36-49)57-47)40(50)34-31-28-25-22-20-19-21-24-27-30-33-38(3)5-2/h31,34,38-45,47,49-54H,4-30,32-33,35-37H2,1-3H3,(H,48,55)/b34-31+/t38?,39-,40+,41-,42-,43-,44+,45-,47-/m0/s1 |
| InChIKey | SKUGPCSBMCMXMS-VXPUUZFCSA-N |
| Mol Weight | 814.2 g/mol |
| Molecular Formula | C47H91NO9 |
| Exact Mass | 813.669384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYLEzrv0vly |
|---|---|
| Name | PORTULACEREBROSIDE-D;1-O-BETA-D-GLUCOPYRANOSYL-(2S,3R,4E)-2-[(2'R)-2-HYDROXYLDOCOSANAMIDEAMINO]-16-METHYL-4-NONADECENE-1,3-DIOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H91NO9 |
| InChI | InChI=1S/C47H91NO9/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-35-41(51)46(55)48-39(37-56-47-45(54)44(53)43(52)42(36-49)57-47)40(50)34-31-28-25-22-20-19-21-24-27-30-33-38(3)5-2/h31,34,38-45,47,49-54H,4-30,32-33,35-37H2,1-3H3,(H,48,55)/b34-31+/t38?,39-,40+,41-,42-,43-,44+,45-,47-/m0/s1 |
| InChIKey | SKUGPCSBMCMXMS-VXPUUZFCSA-N |
| Literature Reference Author | X.LEI,J.LI,B.LIU,N.ZHANG,H.LIU |
| Literature Reference Citation | MOLECULES,20,16375(2015) |
| Literature Reference DOI | 10.3390/molecules200916375 |
| Molecular Weight | 814.241 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA5139 |