| SpectraBase Compound ID | 2TPa0A7ZUP9 |
|---|---|
| InChI | InChI=1S/C33H48O10/c1-16-20(10-11-39-16)21-8-9-23-22(31(21)37)7-6-19-12-26(25(35)15-33(19,23)4)42-29-14-27(38-5)32(18(3)41-29)43-28-13-24(34)30(36)17(2)40-28/h6,10-11,17-18,21-30,32,34-36H,7-9,12-15H2,1-5H3/t17-,18+,21-,22-,23+,24+,25-,26-,27-,28+,29-,30-,32+,33+/m1/s1 |
| InChIKey | WYKVAXAIOADQLO-QHUOXVPOSA-N |
| Mol Weight | 604.7 g/mol |
| Molecular Formula | C33H48O10 |
| Exact Mass | 604.324748 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BkDSnszbo2I |
|---|---|
| Name | SUBLANCEOSIDE-B1;CYNAJAPOGENIN-A-3-O-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H48O10 |
| InChI | InChI=1S/C33H48O10/c1-16-20(10-11-39-16)21-8-9-23-22(31(21)37)7-6-19-12-26(25(35)15-33(19,23)4)42-29-14-27(38-5)32(18(3)41-29)43-28-13-24(34)30(36)17(2)40-28/h6,10-11,17-18,21-30,32,34-36H,7-9,12-15H2,1-5H3/t17-,18+,21-,22-,23+,24+,25-,26-,27-,28+,29-,30-,32+,33+/m1/s1 |
| InChIKey | WYKVAXAIOADQLO-QHUOXVPOSA-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 | 604.738 g/mol |
| Sample ID | 55368 |
| Solvent | C5D5N |