| SpectraBase Compound ID | 3stJO6FnLm3 |
|---|---|
| InChI | InChI=1S/C26H38O13/c1-2-3-4-5-7-10-15(29)16(11-8-6-9-12-27)37-26-24(35)22(33)20(31)18(39-26)14-36-25-23(34)21(32)19(30)17(13-28)38-25/h2-3,8,11,15-35H,6,9,12-14H2,1H3/b3-2+,11-8+/t15?,16?,17-,18+,19-,20+,21+,22-,23-,24+,25-,26+/m1/s1 |
| InChIKey | GDLSOFWVVAOUJI-OTFFKGJVSA-N |
| Mol Weight | 558.6 g/mol |
| Molecular Formula | C26H38O13 |
| Exact Mass | 558.231241 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FyFNkd9XMGu |
|---|---|
| Name | LOBETYOLININ;9-O-BETA-D-GENTIOBIOSYL-2,10-TETRADECADIEN-4,6-DIYNE-8,10-DIOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H38O13 |
| InChI | InChI=1S/C26H38O13/c1-2-3-4-5-7-10-15(29)16(11-8-6-9-12-27)37-26-24(35)22(33)20(31)18(39-26)14-36-25-23(34)21(32)19(30)17(13-28)38-25/h2-3,8,11,15-35H,6,9,12-14H2,1H3/b3-2+,11-8+/t15?,16?,17-,18+,19-,20+,21+,22-,23-,24+,25-,26+/m1/s1 |
| InChIKey | GDLSOFWVVAOUJI-OTFFKGJVSA-N |
| Literature Reference Author | K.ISHIMARU,S.SADOSHIMA,S.NEERA,K.KOYAMA,K.TAKAHASHI,K.SHIMOM URA |
| Literature Reference Citation | PHYTOCHEM.,31,1577(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83110-K |
| Molecular Weight | 558.580 g/mol |
| Solvent | ACETONE-D6:D2O |
| Source File Reference | UWVN5826 |