| SpectraBase Compound ID | 5wFXEVk88ul |
|---|---|
| InChI | InChI=1S/C37H57NO12/c1-12-27-21(4)34-37(9,50-34)14-13-29(42)36(8)18-25(16-30(36)46-23(6)40)32(20(3)28(45-22(5)39)17-31(43)48-27)49-35-33(47-24(7)41)26(38(10)11)15-19(2)44-35/h13-14,19-21,25-28,30,32-35H,12,15-18H2,1-11H3/b14-13+/t19-,20-,21-,25-,26+,27+,28+,30-,32+,33-,34-,35+,36-,37-/m0/s1 |
| InChIKey | XDOPQAZCPWXOON-ISQPHQKKSA-N |
| Mol Weight | 707.9 g/mol |
| Molecular Formula | C37H57NO12 |
| Exact Mass | 707.388076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2rUaDHSBEAX |
|---|---|
| Name | XDOPQAZCPWXOON-ISQPHQKKSA-N |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H57NO12 |
| InChI | InChI=1S/C37H57NO12/c1-12-27-21(4)34-37(9,50-34)14-13-29(42)36(8)18-25(16-30(36)46-23(6)40)32(20(3)28(45-22(5)39)17-31(43)48-27)49-35-33(47-24(7)41)26(38(10)11)15-19(2)44-35/h13-14,19-21,25-28,30,32-35H,12,15-18H2,1-11H3/b14-13+/t19-,20-,21-,25-,26+,27+,28+,30-,32+,33-,34-,35+,36-,37-/m0/s1 |
| InChIKey | XDOPQAZCPWXOON-ISQPHQKKSA-N |
| Literature Reference Author | M.S.PUAR,D.SCHUMACHER,T.MOLLITOR,B.ROSENKRANTZ,R.S.JARET,A.T .M.PHAIL |
| Literature Reference Citation | J.ANTIBIOTICS,45,1540(1992) |
| Literature Reference DOI | 10.7164/antibiotics.45.1540 |
| Molecular Weight | 707.859 g/mol |
| Sample ID | 45965 |
| Solvent | CDCl3 |