| SpectraBase Compound ID | 85DhPRSz7nS |
|---|---|
| InChI | InChI=1S/C27H44O13/c1-11-13-7-12(26(2,3)40-25-22(36)20(34)18(32)16(10-29)38-25)5-6-27(13,4)8-14(30)23(11)39-24-21(35)19(33)17(31)15(9-28)37-24/h12-13,15-22,24-25,28-29,31-36H,5-10H2,1-4H3/t12-,13-,15-,16+,17-,18+,19+,20-,21-,22+,24+,25-,27+/m1/s1 |
| InChIKey | XMFJYFXSIKDRHJ-QIPKHWSOSA-N |
| Mol Weight | 576.6 g/mol |
| Molecular Formula | C27H44O13 |
| Exact Mass | 576.278191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4AruaSLo9fW |
|---|---|
| Name | CIS-ATRACTYLOSIDE-I |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O13 |
| InChI | InChI=1S/C27H44O13/c1-11-13-7-12(26(2,3)40-25-22(36)20(34)18(32)16(10-29)38-25)5-6-27(13,4)8-14(30)23(11)39-24-21(35)19(33)17(31)15(9-28)37-24/h12-13,15-22,24-25,28-29,31-36H,5-10H2,1-4H3/t12-,13-,15-,16+,17-,18+,19+,20-,21-,22+,24+,25-,27+/m1/s1 |
| InChIKey | XMFJYFXSIKDRHJ-QIPKHWSOSA-N |
| Literature Reference Author | J.KITAJIMA,A.KAMOSHITA,T.ISHIKAWA,A.TAKANO,T.FUKUDA,S.ISODA, Y.IDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,673(2003) |
| Literature Reference DOI | 10.1248/cpb.51.673 |
| Molecular Weight | 576.639 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS21453 |