| SpectraBase Compound ID | AcXzxyVopTX |
|---|---|
| InChI | InChI=1S/C36H48O21/c1-50-20-11-15(3-6-18(20)40)4-7-24(42)52-14-23-27(45)32(56-34-30(48)28(46)25(43)21(12-37)53-34)33(57-35-31(49)29(47)26(44)22(13-38)54-35)36(55-23)51-9-8-16-2-5-17(39)19(41)10-16/h2-7,10-11,21-23,25-41,43-49H,8-9,12-14H2,1H3/b7-4+/t21-,22+,23-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35-,36-/m0/s1 |
| InChIKey | ROZGXKOKKRMWMT-QCGWAOTDSA-N |
| Mol Weight | 816.8 g/mol |
| Molecular Formula | C36H48O21 |
| Exact Mass | 816.268809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GmPzSjc5gBN |
|---|---|
| Name | ROZGXKOKKRMWMT-QCGWAOTDSA-N |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H48O21 |
| InChI | InChI=1S/C36H48O21/c1-50-20-11-15(3-6-18(20)40)4-7-24(42)52-14-23-27(45)32(56-34-30(48)28(46)25(43)21(12-37)53-34)33(57-35-31(49)29(47)26(44)22(13-38)54-35)36(55-23)51-9-8-16-2-5-17(39)19(41)10-16/h2-7,10-11,21-23,25-41,43-49H,8-9,12-14H2,1H3/b7-4+/t21-,22+,23-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35-,36-/m0/s1 |
| InChIKey | ROZGXKOKKRMWMT-QCGWAOTDSA-N |
| Literature Reference Author | H.AOSHIMA,T.MIYASE,A.UENO |
| Literature Reference Citation | PHYTOCHEM.,37,547(1994) |
| Literature Reference DOI | 10.1016/0031-9422(94)85097-6 |
| Molecular Weight | 816.765 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS23022 |