| SpectraBase Compound ID | 9qhdkcztTKE |
|---|---|
| InChI | InChI=1S/C44H55N3O13/c1-27-36(50)39(53)41(60-43-40(54)38(52)37(51)33(59-43)26-56-42(55)30-13-6-3-7-14-30)44(57-27)58-31-18-16-29(17-19-31)32-25-34(48)46-22-10-24-47(23-9-8-21-45-32)35(49)20-15-28-11-4-2-5-12-28/h2-7,11-20,27,32-33,36-41,43-45,50-54H,8-10,21-26H2,1H3,(H,46,48)/b20-15+/t27-,32+,33+,36+,37+,38-,39-,40+,41+,43-,44-/m1/s1 |
| InChIKey | HEYPIXYGEMJYSY-APLOTWLBSA-N |
| Mol Weight | 833.9 g/mol |
| Molecular Formula | C44H55N3O13 |
| Exact Mass | 833.373489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AulPu3QN51a |
|---|---|
| Name | DRACOTANOSIDE_B;ISOMER_2 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H55N3O13 |
| InChI | InChI=1S/C44H55N3O13/c1-27-36(50)39(53)41(60-43-40(54)38(52)37(51)33(59-43)26-56-42(55)30-13-6-3-7-14-30)44(57-27)58-31-18-16-29(17-19-31)32-25-34(48)46-22-10-24-47(23-9-8-21-45-32)35(49)20-15-28-11-4-2-5-12-28/h2-7,11-20,27,32-33,36-41,43-45,50-54H,8-10,21-26H2,1H3,(H,46,48)/b20-15+/t27-,32+,33+,36+,37+,38-,39-,40+,41+,43-,44-/m1/s1 |
| InChIKey | HEYPIXYGEMJYSY-APLOTWLBSA-N |
| Literature Reference Author | S.Q.WANG,D.M.REN,F.XIANG,X.N.WANG,C.J.ZHU,H.Q.YUAN,L.M.SUN,B .B.LV,X.J.SUN,H.X.LO |
| Literature Reference Citation | J.NAT.PROD.,72,1006(2009) |
| Literature Reference DOI | 10.1021/np900140s |
| Molecular Weight | 833.933 g/mol |
| Sample ID | 32679 |
| Solvent | CD3OD |