| SpectraBase Compound ID | KZA2aGkI4YN |
|---|---|
| InChI | InChI=1S/C31H42O17/c1-3-16-17(18(28(41)42-2)12-45-29(16)48-31-27(40)24(37)22(35)19(11-32)46-31)10-21(34)44-13-20-23(36)25(38)26(39)30(47-20)43-9-8-14-4-6-15(33)7-5-14/h3-7,12,17,19-20,22-27,29-33,35-40H,8-11,13H2,1-2H3/b16-3+/t17-,19-,20-,22-,23-,24+,25+,26-,27-,29-,30-,31+/m0/s1 |
| InChIKey | STKUCSFEBXPTAY-LMBXJFSTSA-N |
| Mol Weight | 686.7 g/mol |
| Molecular Formula | C31H42O17 |
| Exact Mass | 686.2422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Od3ZfymtC7 |
|---|---|
| Name | (8E)-NUEZHENIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H42O17 |
| InChI | InChI=1S/C31H42O17/c1-3-16-17(18(28(41)42-2)12-45-29(16)48-31-27(40)24(37)22(35)19(11-32)46-31)10-21(34)44-13-20-23(36)25(38)26(39)30(47-20)43-9-8-14-4-6-15(33)7-5-14/h3-7,12,17,19-20,22-27,29-33,35-40H,8-11,13H2,1-2H3/b16-3+/t17-,19-,20-,22-,23-,24+,25+,26-,27-,29-,30-,31+/m0/s1 |
| InChIKey | STKUCSFEBXPTAY-LMBXJFSTSA-N |
| Literature Reference Author | K.MACHIDA,A.KANEKO,T.HOSOGAI,R.KAKUDA,Y.YAOITA,M.KIKUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,50,493(2002) |
| Literature Reference DOI | 10.1248/cpb.50.493 |
| Molecular Weight | 686.664 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN7992 |