| SpectraBase Compound ID | HJLrw36tBpD |
|---|---|
| InChI | InChI=1S/C27H42O20/c28-4-8-3-12(32)27(1-2-41-23(13(8)27)46-25-21(40)18(37)15(34)10(6-30)43-25)47-26-22(19(38)16(35)11(7-31)44-26)45-24-20(39)17(36)14(33)9(5-29)42-24/h1-3,9-26,28-40H,4-7H2/t9-,10+,11-,12-,13?,14-,15+,16-,17+,18-,19+,20-,21+,22-,23+,24+,25-,26+,27-/m0/s1 |
| InChIKey | JQEFRKPLHFKTFL-RMFGPEGASA-N |
| Mol Weight | 686.6 g/mol |
| Molecular Formula | C27H42O20 |
| Exact Mass | 686.226944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D8Ebwv0AHB3 |
|---|---|
| Name | REHMANNIOSIDE_D;SOPHOROSYLMONOMELITTOSIDE |
| Compound Number | 83 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O20 |
| InChI | InChI=1S/C27H42O20/c28-4-8-3-12(32)27(1-2-41-23(13(8)27)46-25-21(40)18(37)15(34)10(6-30)43-25)47-26-22(19(38)16(35)11(7-31)44-26)45-24-20(39)17(36)14(33)9(5-29)42-24/h1-3,9-26,28-40H,4-7H2/t9-,10+,11-,12-,13?,14-,15+,16-,17+,18-,19+,20-,21+,22-,23+,24+,25-,26+,27-/m0/s1 |
| InChIKey | JQEFRKPLHFKTFL-RMFGPEGASA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 686.618 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ16076 |