| SpectraBase Compound ID | CnIqhaPVXbp |
|---|---|
| InChI | InChI=1S/C25H42O9.C25H40O9/c2*1-7-25(6,13-9-12-16(2)10-8-11-17(3)14-26)34-24-23(32-19(5)28)22(30)21(29)20(33-24)15-31-18(4)27/h7,12,17,20-24,26,29-30H,1,8-11,13-15H2,2-6H3;7,11-12,20-24,26,29-30H,1,8-10,13-15H2,2-6H3/b16-12+;16-12+,17-11+/t17?,20-,21-,22+,23-,24+,25+;20-,21-,22+,23-,24+,25+/m00/s1 |
| InChIKey | QTIHCNYKWGGCJC-CLGRUNHOSA-N |
| Mol Weight | 971.2 g/mol |
| Molecular Formula | C50H82O18 |
| Exact Mass | 970.550116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7T4MuT208KN |
|---|---|
| Name | #5A+#5B;12-HYDROXYNEROLIDOL-3-O-BETA-D-2'-ACETYLGLUCOPYRANOSIDE+10,11-DIHYDRO-12-HYDROXYNEROLIDOL-3-O-BETA-D-2'-ACETYLGLUCOPYRANOSIDE;MIXTURE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H82O18 |
| InChI | InChI=1S/C25H42O9.C25H40O9/c2*1-7-25(6,13-9-12-16(2)10-8-11-17(3)14-26)34-24-23(32-19(5)28)22(30)21(29)20(33-24)15-31-18(4)27/h7,12,17,20-24,26,29-30H,1,8-11,13-15H2,2-6H3;7,11-12,20-24,26,29-30H,1,8-10,13-15H2,2-6H3/b16-12+;16-12+,17-11+/t17?,20-,21-,22+,23-,24+,25+;20-,21-,22+,23-,24+,25+/m00/s1 |
| InChIKey | QTIHCNYKWGGCJC-CLGRUNHOSA-N |
| Literature Reference Author | W.HERZ,K.D.PETHTEL,D.RAULAIS |
| Literature Reference Citation | PHYTOCHEM.,30,1273(1991) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95216-6 |
| Molecular Weight | 971.190 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU34268 |