| SpectraBase Compound ID | 7NjHHn3oPZN |
|---|---|
| InChI | InChI=1S/C43H62O9/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-24-33(44)48-27-40-37(49-40)34-36-39(28(2)3)26-30(5)42(34,32-25-29(4)35(45)41(32,47)38(40)46)52-43(50-36,51-39)31-22-19-18-20-23-31/h18-20,22-23,29-30,32,34,36-38,46-47H,2,6-17,21,24-27H2,1,3-5H3/t29-,30-,32-,34-,36-,37+,38-,39-,40+,41-,42+,43+/m1/s1 |
| InChIKey | NIVLOYOUJBLKEU-ZJKBIIQRSA-N |
| Mol Weight | 723.0 g/mol |
| Molecular Formula | C43H62O9 |
| Exact Mass | 722.439384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5bNc13Yr15W |
|---|---|
| Name | 1,2-ALPHA-DIHYDRO-20-PALIMOYL-DAPHNETOXIN |
| Compound Number | 5 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H62O9 |
| InChI | InChI=1S/C43H62O9/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-24-33(44)48-27-40-37(49-40)34-36-39(28(2)3)26-30(5)42(34,32-25-29(4)35(45)41(32,47)38(40)46)52-43(50-36,51-39)31-22-19-18-20-23-31/h18-20,22-23,29-30,32,34,36-38,46-47H,2,6-17,21,24-27H2,1,3-5H3/t29-,30-,32-,34-,36-,37+,38-,39-,40+,41-,42+,43+/m1/s1 |
| InChIKey | NIVLOYOUJBLKEU-ZJKBIIQRSA-N |
| Literature Reference Author | H.B.WANG,L.P.LIU,X.Y.WANG |
| Literature Reference Citation | MAGN.RES.CHEM.,51,580(2013) |
| Literature Reference DOI | 10.1002/mrc.3978 |
| Molecular Weight | 722.960 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR13508 |