| SpectraBase Compound ID | JxXPoTXDwPD |
|---|---|
| InChI | InChI=1S/C33H42O17/c1-14-22(38)27(47-20(37)9-6-16-4-7-17(42-3)8-5-16)28(45-15(2)36)32(44-14)48-26-18-10-11-43-30(21(18)33(13-35)29(26)50-33)49-31-25(41)24(40)23(39)19(12-34)46-31/h4-11,14,18-19,21-32,34-35,38-41H,12-13H2,1-3H3/b9-6+/t14-,18-,19+,21-,22-,23+,24-,25+,26+,27+,28+,29+,30+,31-,32-,33-/m1/s1 |
| InChIKey | ZRTBPOAMWLLGTO-JMOQDFQKSA-N |
| Mol Weight | 710.7 g/mol |
| Molecular Formula | C33H42O17 |
| Exact Mass | 710.2422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZTSBQZefRs |
|---|---|
| Name | SCROPHULOSIDE-A5 |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H42O17 |
| InChI | InChI=1S/C33H42O17/c1-14-22(38)27(47-20(37)9-6-16-4-7-17(42-3)8-5-16)28(45-15(2)36)32(44-14)48-26-18-10-11-43-30(21(18)33(13-35)29(26)50-33)49-31-25(41)24(40)23(39)19(12-34)46-31/h4-11,14,18-19,21-32,34-35,38-41H,12-13H2,1-3H3/b9-6+/t14-,18-,19+,21-,22-,23+,24-,25+,26+,27+,28+,29+,30+,31-,32-,33-/m1/s1 |
| InChIKey | ZRTBPOAMWLLGTO-JMOQDFQKSA-N |
| Literature Reference Author | T.MIYASE,A.MIMATSU |
| Literature Reference Citation | J.NAT.PROD.,62,1079(1999) |
| Literature Reference DOI | 10.1021/np9805746 |
| Molecular Weight | 710.686 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP8756 |