| SpectraBase Compound ID | B7iPfHIkJH2 |
|---|---|
| InChI | InChI=1S/C26H36O7/c1-13-16(8-9-31-13)17-6-7-19-18(25(17)30)5-4-15-10-22(21(28)12-26(15,19)3)33-23-11-20(27)24(29)14(2)32-23/h4,8-9,14,17-24,27-29H,5-7,10-12H2,1-3H3/t14-,17+,18+,19-,20+,21+,22+,23+,24-,26-/m0/s1 |
| InChIKey | IISGRULJTJEYQC-NJJOBPEZSA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C26H36O7 |
| Exact Mass | 460.246103 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2T8EGb3bIbk |
|---|---|
| Name | SUBLANCEOSIDE-A1;CYNAJAPOGENIN-A-3-O-BETA-D-DIGITOXOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H36O7 |
| InChI | InChI=1S/C26H36O7/c1-13-16(8-9-31-13)17-6-7-19-18(25(17)30)5-4-15-10-22(21(28)12-26(15,19)3)33-23-11-20(27)24(29)14(2)32-23/h4,8-9,14,17-24,27-29H,5-7,10-12H2,1-3H3/t14-,17+,18+,19-,20+,21+,22+,23+,24-,26-/m0/s1 |
| InChIKey | IISGRULJTJEYQC-NJJOBPEZSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,1551(2006) |
| Literature Reference DOI | 10.1248/cpb.54.1551 |
| Molecular Weight | 460.568 g/mol |
| Sample ID | 55366 |
| Solvent | C5D5N |