| SpectraBase Compound ID | CRJ2LwhxWts |
|---|---|
| InChI | InChI=1S/C21H28O9/c1-7-9-4-12(9)20(3)10(7)5-11-8(2)17(26)29-21(11,19(20)27)30-18-16(25)15(24)14(23)13(6-22)28-18/h9-10,12-16,18-19,22-25,27H,1,4-6H2,2-3H3/t9-,10+,12-,13-,14-,15+,16-,18+,19+,20-,21+/m1/s1 |
| InChIKey | VYBFUWGHQFZSNX-XMEUBQTBSA-N |
| Mol Weight | 424.45 g/mol |
| Molecular Formula | C21H28O9 |
| Exact Mass | 424.173332 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KRfBydpu8YI |
|---|---|
| Name | CHLORANTHALACTONE_E-8-O-BETA-D-GLUCOPYRANOSIDE;8-BETA,9-ALPHA-DI-HYDROXY-5-ALPHA,9-BETA-H-LINDAN-4-(15),7-(13)-DIEN-8-ALPHA,12-OLIDE-8-BETA-O |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H28O9 |
| InChI | InChI=1S/C21H28O9/c1-7-9-4-12(9)20(3)10(7)5-11-8(2)17(26)29-21(11,19(20)27)30-18-16(25)15(24)14(23)13(6-22)28-18/h9-10,12-16,18-19,22-25,27H,1,4-6H2,2-3H3/t9-,10+,12-,13-,14-,15+,16-,18+,19+,20-,21+/m1/s1 |
| InChIKey | VYBFUWGHQFZSNX-XMEUBQTBSA-N |
| Literature Reference Author | Y.LI,D.M.ZHANG,J.B.LI,S.S.YU,Y.LI,Y.M.LUO |
| Literature Reference Citation | J.NAT.PROD.,69,616(2006) |
| Literature Reference DOI | 10.1021/np050480d |
| Molecular Weight | 424.448 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18235 |