| SpectraBase Compound ID | 7O5IffMC6UZ |
|---|---|
| InChI | InChI=1S/2C48H93NO10/c2*1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-40(51)43(53)39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)49-47(57)41(52)36-34-32-30-28-25-16-14-12-10-8-6-4-2/h2*27,29,39-46,48,50-56H,3-26,28,30-38H2,1-2H3,(H,49,57)/b2*29-27-/t2*39-,40+,41+,42-,43-,44-,45+,46-,48-/m00/s1 |
| InChIKey | LBUXHRJFJDBNOT-VTSPCDDQSA-N |
| Mol Weight | 1688.5 g/mol |
| Molecular Formula | C96H186N2O20 |
| Exact Mass | 1687.359896 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IhLZyST2S4b |
|---|---|
| Name | POKE-WEED-CEREBROSIDE;MIXTURE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C96H186N2O20 |
| InChI | InChI=1S/2C48H93NO10/c2*1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-40(51)43(53)39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)49-47(57)41(52)36-34-32-30-28-25-16-14-12-10-8-6-4-2/h2*27,29,39-46,48,50-56H,3-26,28,30-38H2,1-2H3,(H,49,57)/b2*29-27-/t2*39-,40+,41+,42-,43-,44-,45+,46-,48-/m00/s1 |
| InChIKey | LBUXHRJFJDBNOT-VTSPCDDQSA-N |
| Literature Reference Author | S.S.KANG,J.S.KIM,K.H.SON,H.P.KIM,H.W.CHANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,321(2001) |
| Literature Reference DOI | 10.1248/cpb.49.321 |
| Molecular Weight | 1688.534 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN28974 |