| SpectraBase Compound ID | 49r7WfR7EkL |
|---|---|
| InChI | InChI=1S/C54H91NO17/c1-10-12-14-16-18-20-22-24-26-28-30-32-34-46(66-39(4)57)49(68-41(6)59)45(55-53(63)47(67-40(5)58)35-33-31-29-27-25-23-21-19-17-15-13-11-2)36-65-54-52(71-44(9)62)51(70-43(8)61)50(69-42(7)60)48(72-54)37-64-38(3)56/h26,28,45-52,54H,10-25,27,29-37H2,1-9H3,(H,55,63)/b28-26+/t45-,46+,47?,48-,49+,50-,51+,52-,54-/m1/s1 |
| InChIKey | CNSKIFOEQCIOHX-MPFRBGELSA-N |
| Mol Weight | 1026.3 g/mol |
| Molecular Formula | C54H91NO17 |
| Exact Mass | 1025.6287 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FrGEwPcCBH8 |
|---|---|
| Name | ARALIA-CEREBROSIDE-HEPTAACETATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H91NO17 |
| InChI | InChI=1S/C54H91NO17/c1-10-12-14-16-18-20-22-24-26-28-30-32-34-46(66-39(4)57)49(68-41(6)59)45(55-53(63)47(67-40(5)58)35-33-31-29-27-25-23-21-19-17-15-13-11-2)36-65-54-52(71-44(9)62)51(70-43(8)61)50(69-42(7)60)48(72-54)37-64-38(3)56/h26,28,45-52,54H,10-25,27,29-37H2,1-9H3,(H,55,63)/b28-26+/t45-,46+,47?,48-,49+,50-,51+,52-,54-/m1/s1 |
| InChIKey | CNSKIFOEQCIOHX-MPFRBGELSA-N |
| Literature Reference Author | S.S.KANG,J.S.KIM,Y.N.XU,Y.H.KIM |
| Literature Reference Citation | J.NAT.PROD.,62,1059(1999) |
| Literature Reference DOI | 10.1021/np990018r |
| Molecular Weight | 1026.313 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP8633 |