| SpectraBase Compound ID | 3uO1qFrW29u |
|---|---|
| InChI | InChI=1S/C44H60O5/c1-28(2)15-11-17-30(5)19-13-21-32(7)23-25-36-34(9)40(39(46)27-38(36)45)41-35(10)42(47)44(49)37(43(41)48)26-24-33(8)22-14-20-31(6)18-12-16-29(3)4/h15-16,19-20,23-24,27,45-46,49H,11-14,17-18,21-22,25-26H2,1-10H3/b30-19+,31-20+,32-23+,33-24+ |
| InChIKey | AAJBNCIQOCECIN-OAEQVLRSSA-N |
| Mol Weight | 669.0 g/mol |
| Molecular Formula | C44H60O5 |
| Exact Mass | 668.444075 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CqhoIbpjOoq |
|---|---|
| Name | ALBATRELIN_E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H60O5 |
| InChI | InChI=1S/C44H60O5/c1-28(2)15-11-17-30(5)19-13-21-32(7)23-25-36-34(9)40(39(46)27-38(36)45)41-35(10)42(47)44(49)37(43(41)48)26-24-33(8)22-14-20-31(6)18-12-16-29(3)4/h15-16,19-20,23-24,27,45-46,49H,11-14,17-18,21-22,25-26H2,1-10H3/b30-19+,31-20+,32-23+,33-24+ |
| InChIKey | AAJBNCIQOCECIN-OAEQVLRSSA-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 | 668.957 g/mol |
| Sample ID | 41041 |
| Solvent | CDCl3 |