| SpectraBase Compound ID | 6aqLmbMGUwO |
|---|---|
| InChI | InChI=1S/C47H56O21/c1-42-16-26(49)24-14-46(42,44(24,40(59-3)67-42)20-61-36(57)22-10-6-4-7-11-22)66-39-35(56)33(54)31(52)29(64-39)19-60-41-45(21-62-37(58)23-12-8-5-9-13-23)25-15-47(45,43(2,68-41)17-27(25)50)65-38-34(55)32(53)30(51)28(18-48)63-38/h4-13,24-25,28-35,38-41,48,51-56H,14-21H2,1-3H3/t24-,25-,28-,29+,30-,31+,32+,33-,34-,35+,38+,39-,40-,41-,42-,43-,44+,45-,46-,47-/m0/s1 |
| InChIKey | QDMFASNVGVOIEZ-OELQPCCOSA-N |
| Mol Weight | 956.9 g/mol |
| Molecular Formula | C47H56O21 |
| Exact Mass | 956.331409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D0kVccESGou |
|---|---|
| Name | PAEONIDANIN_D |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H56O21 |
| InChI | InChI=1S/C47H56O21/c1-42-16-26(49)24-14-46(42,44(24,40(59-3)67-42)20-61-36(57)22-10-6-4-7-11-22)66-39-35(56)33(54)31(52)29(64-39)19-60-41-45(21-62-37(58)23-12-8-5-9-13-23)25-15-47(45,43(2,68-41)17-27(25)50)65-38-34(55)32(53)30(51)28(18-48)63-38/h4-13,24-25,28-35,38-41,48,51-56H,14-21H2,1-3H3/t24-,25-,28-,29+,30-,31+,32+,33-,34-,35+,38+,39-,40-,41-,42-,43-,44+,45-,46-,47-/m0/s1 |
| InChIKey | QDMFASNVGVOIEZ-OELQPCCOSA-N |
| Literature Reference Author | W.J.DUAN,J.Y.YANG,L.X.CHEN,L.J.ZHANG,Z.H.JIANG,X.D.CAI,X.ZHA NG,F.QIU |
| Literature Reference Citation | J.NAT.PROD.,72,1579(2009) |
| Literature Reference DOI | 10.1021/np9001898 |
| Molecular Weight | 956.949 g/mol |
| Sample ID | 33465 |
| Solvent | CD3OD |