| SpectraBase Compound ID | LBzxL8mreie |
|---|---|
| InChI | InChI=1S/C46H87NO9/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-40(50)45(54)47-38(37-55-46-44(53)43(52)42(51)41(36-48)56-46)39(49)34-32-30-28-26-24-14-12-10-8-6-4-2/h24,26,32,34,38-44,46,48-53H,3-23,25,27-31,33,35-37H2,1-2H3,(H,47,54)/b26-24+,34-32+/t38-,39+,40+,41+,42+,43-,44+,46+/m0/s1 |
| InChIKey | YZFYXQFXFONLCR-DSFCUWQCSA-N |
| Mol Weight | 798.2 g/mol |
| Molecular Formula | C46H87NO9 |
| Exact Mass | 797.638083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JCBD4BFfQYI |
|---|---|
| Name | FEROCEREBROSIDE_B;(2-S,3-R,4-E,8-E,2'-R)-1-O-(BETA-GLUCOPYRANOSYL)-N-(2'-HYDROXYTETRACOSANYL)-4,8-SPHINADIENINE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H87NO9 |
| InChI | InChI=1S/C46H87NO9/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-40(50)45(54)47-38(37-55-46-44(53)43(52)42(51)41(36-48)56-46)39(49)34-32-30-28-26-24-14-12-10-8-6-4-2/h24,26,32,34,38-44,46,48-53H,3-23,25,27-31,33,35-37H2,1-2H3,(H,47,54)/b26-24+,34-32+/t38-,39+,40+,41+,42+,43-,44+,46+/m0/s1 |
| InChIKey | YZFYXQFXFONLCR-DSFCUWQCSA-N |
| Literature Reference Author | L.C.ROW,J.C.HO,C.M.CHEN |
| Literature Reference Citation | J.NAT.PROD.,70,1214(2007) |
| Literature Reference DOI | 10.1021/np070095j |
| Molecular Weight | 798.198 g/mol |
| Sample ID | 30675 |
| Solvent | CDCl3:CD3OD=1:1 |