| SpectraBase Compound ID | 1yat3B2SHWY |
|---|---|
| InChI | InChI=1S/C28H37ClO10/c1-7-8-20(32)37-18-10-9-17(12-29)11-19-28(34,14(3)26(33)38-19)24(36-16(5)31)21-13(2)22(35-15(4)30)23-25(39-23)27(18,21)6/h9-11,13-14,18-19,21-25,34H,7-8,12H2,1-6H3/b10-9-,17-11+/t13-,14+,18+,19+,21-,22+,23+,24+,25+,27-,28+/m1/s1 |
| InChIKey | LJYPGOBEIWPPDF-DKHIJYKESA-N |
| Mol Weight | 569.0 g/mol |
| Molecular Formula | C28H37ClO10 |
| Exact Mass | 568.207525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3m4kxs0Um1A |
|---|---|
| Name | 16-CHLORO-6-DECHLORO-5,16-DIHYDRO-DELTA-5,6-BRIANTHEIN_Y |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2023 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H37ClO10 |
| InChI | InChI=1S/C28H37ClO10/c1-7-8-20(32)37-18-10-9-17(12-29)11-19-28(34,14(3)26(33)38-19)24(36-16(5)31)21-13(2)22(35-15(4)30)23-25(39-23)27(18,21)6/h9-11,13-14,18-19,21-25,34H,7-8,12H2,1-6H3/b10-9-,17-11+/t13-,14+,18+,19+,21-,22+,23+,24+,25+,27-,28+/m1/s1 |
| InChIKey | LJYPGOBEIWPPDF-DKHIJYKESA-N |
| Literature Reference Author | J.M.CRONAN,A.LEE,J.LIANG,J.CLARDY,J.H.CARDELLINA |
| Literature Reference Citation | J.NAT.PROD.,73,346(2010) |
| Literature Reference DOI | 10.1021/np800381n |
| Molecular Weight | 569.049 g/mol |
| Sample ID | 35046 |
| Solvent | CDCl3 |