| SpectraBase Compound ID | 3fOwqyo81XY |
|---|---|
| InChI | InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-38(48)43(52)45-36(35-53-44-42(51)41(50)40(49)39(34-46)54-44)37(47)32-30-28-26-24-22-14-12-10-8-6-4-2/h22,24,30,32,36-42,44,46-51H,3-21,23,25-29,31,33-35H2,1-2H3,(H,45,52)/b24-22+,32-30+/t36-,37+,38+,39+,40+,41-,42+,44+/m0/s1 |
| InChIKey | VZVSHAMCIFKUFY-FCZHZXJDSA-N |
| Mol Weight | 770.1 g/mol |
| Molecular Formula | C44H83NO9 |
| Exact Mass | 769.606783 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 66DpaTLdJdn |
|---|---|
| Name | FEROCEREBROSIDE_A;(2-S,3-R,4-E,8-E,2'-R)-1-O-(BETA-GLUCOPYRANOSYL)-N-(2'-HYDROXYDOCOSANYL)-4,8-SPHINADIENINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H83NO9 |
| InChI | InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-38(48)43(52)45-36(35-53-44-42(51)41(50)40(49)39(34-46)54-44)37(47)32-30-28-26-24-22-14-12-10-8-6-4-2/h22,24,30,32,36-42,44,46-51H,3-21,23,25-29,31,33-35H2,1-2H3,(H,45,52)/b24-22+,32-30+/t36-,37+,38+,39+,40+,41-,42+,44+/m0/s1 |
| InChIKey | VZVSHAMCIFKUFY-FCZHZXJDSA-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 | 770.144 g/mol |
| Sample ID | 30674 |
| Solvent | CDCl3:CD3OD=1:1 |