| SpectraBase Compound ID | 1bBLHwDgcDc |
|---|---|
| InChI | InChI=1S/C35H44O19/c1-14-27(51-22(41)8-6-17-5-7-19(40)20(11-17)45-4)29(48-15(2)38)30(49-16(3)39)34(47-14)52-28-18-9-10-46-32(23(18)35(13-37)31(28)54-35)53-33-26(44)25(43)24(42)21(12-36)50-33/h5-11,14,18,21,23-34,36-37,40,42-44H,12-13H2,1-4H3/b8-6+/t14-,18-,21+,23-,24+,25-,26+,27-,28+,29+,30+,31+,32+,33-,34-,35-/m1/s1 |
| InChIKey | QRAQRUBRUYEACG-YDEKDSOGSA-N |
| Mol Weight | 768.7 g/mol |
| Molecular Formula | C35H44O19 |
| Exact Mass | 768.247679 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 86AZNXdMYss |
|---|---|
| Name | SCROPHULOSIDE-A8 |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H44O19 |
| InChI | InChI=1S/C35H44O19/c1-14-27(51-22(41)8-6-17-5-7-19(40)20(11-17)45-4)29(48-15(2)38)30(49-16(3)39)34(47-14)52-28-18-9-10-46-32(23(18)35(13-37)31(28)54-35)53-33-26(44)25(43)24(42)21(12-36)50-33/h5-11,14,18,21,23-34,36-37,40,42-44H,12-13H2,1-4H3/b8-6+/t14-,18-,21+,23-,24+,25-,26+,27-,28+,29+,30+,31+,32+,33-,34-,35-/m1/s1 |
| InChIKey | QRAQRUBRUYEACG-YDEKDSOGSA-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 | 768.723 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP8759 |