| SpectraBase Compound ID | 4s156IZ7dJi |
|---|---|
| InChI | InChI=1S/C30H42O10/c1-28-9-7-17(39-27-26(36)25(35)24(34)21(13-31)40-27)11-16(28)4-5-19-18(28)8-10-29(2)23(20(32)12-30(19,29)37)15-3-6-22(33)38-14-15/h3,6,11,14,17-21,23-27,31-32,34-37H,4-5,7-10,12-13H2,1-2H3/t17-,18-,19+,20-,21+,23?,24+,25-,26+,27+,28-,29+,30-/m0/s1 |
| InChIKey | LSMWWMPPULJBQX-AIQFWQFZSA-N |
| Mol Weight | 562.7 g/mol |
| Molecular Formula | C30H42O10 |
| Exact Mass | 562.277798 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4AXcbtdIpIP |
|---|---|
| Name | 16-BETA-HYDROXY-SCILLARENIN-3-O-BETA-D-GLUCOSIDE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H42O10 |
| InChI | InChI=1S/C30H42O10/c1-28-9-7-17(39-27-26(36)25(35)24(34)21(13-31)40-27)11-16(28)4-5-19-18(28)8-10-29(2)23(20(32)12-30(19,29)37)15-3-6-22(33)38-14-15/h3,6,11,14,17-21,23-27,31-32,34-37H,4-5,7-10,12-13H2,1-2H3/t17-,18-,19+,20-,21+,23?,24+,25-,26+,27+,28-,29+,30-/m0/s1 |
| InChIKey | LSMWWMPPULJBQX-AIQFWQFZSA-N |
| Literature Reference Author | B.KOPP,L.KRENN,M.DRAXLER,A.HOYER,R.TERKOLA,P.VALLASTER,W.ROB IEN |
| Literature Reference Citation | PHYTOCHEM.,42,513(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00876-4 |
| Molecular Weight | 562.657 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWLU3386 |