| SpectraBase Compound ID | 7UybPWvRuIv |
|---|---|
| InChI | InChI=1S/C44H58O4/c1-28(2)15-11-17-30(5)19-13-20-32(7)22-23-35-37(45)27-33(8)38-39-34(9)40(46)43-36(42(39)47-41(35)38)24-26-44(10,48-43)25-14-21-31(6)18-12-16-29(3)4/h15-16,19,21-22,24,26-27,45-46H,11-14,17-18,20,23,25H2,1-10H3/b30-19+,31-21+,32-22+/t44-/m1/s1 |
| InChIKey | URKKJJQZOARVCY-IMZRLPGDSA-N |
| Mol Weight | 650.9 g/mol |
| Molecular Formula | C44H58O4 |
| Exact Mass | 650.43351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Jla17nAZv7 |
|---|---|
| Name | ALBATRELIN_D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H58O4 |
| InChI | InChI=1S/C44H58O4/c1-28(2)15-11-17-30(5)19-13-20-32(7)22-23-35-37(45)27-33(8)38-39-34(9)40(46)43-36(42(39)47-41(35)38)24-26-44(10,48-43)25-14-21-31(6)18-12-16-29(3)4/h15-16,19,21-22,24,26-27,45-46H,11-14,17-18,20,23,25H2,1-10H3/b30-19+,31-21+,32-22+/t44-/m1/s1 |
| InChIKey | URKKJJQZOARVCY-IMZRLPGDSA-N |
| Literature Reference Author | L.Y.LIU,Z.H.LI,Z.H.DING,Z.J.DONG,G.T.LI,Y.LI,J.K.LIU |
| Literature Reference Citation | J.NAT.PROD.,76,79(2013) |
| Literature Reference DOI | 10.1021/np300751m |
| Molecular Weight | 650.942 g/mol |
| Sample ID | 41040 |
| Solvent | CDCl3 |