| SpectraBase Compound ID | IbUzDx5iyw0 |
|---|---|
| InChI | InChI=1S/C33H48O12/c1-16-26(37)28(41-5)27(38)29(43-16)45-19-8-10-30(3)20(12-19)22(44-17(2)34)14-32(39)23(30)9-11-31(4)25(21(35)13-33(31,32)40)18-6-7-24(36)42-15-18/h6-7,15-16,19-23,25-29,35,37-40H,8-14H2,1-5H3/t16?,19-,20+,21-,22+,23?,25?,26?,27?,28?,29?,30-,31+,32-,33+/m0/s1 |
| InChIKey | YMLUYEXCOJEJQQ-IEYXJCPQSA-N |
| Mol Weight | 636.7 g/mol |
| Molecular Formula | C33H48O12 |
| Exact Mass | 636.314577 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KGr7fYswmQn |
|---|---|
| Name | 5-ALPHA-4,5-DIHYDRO-16-BETA-HYDROXY-SCILLIROSIDIN-3-O-ALPHA-L-THEVETOSIDE |
| Compound Number | 38 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H48O12 |
| InChI | InChI=1S/C33H48O12/c1-16-26(37)28(41-5)27(38)29(43-16)45-19-8-10-30(3)20(12-19)22(44-17(2)34)14-32(39)23(30)9-11-31(4)25(21(35)13-33(31,32)40)18-6-7-24(36)42-15-18/h6-7,15-16,19-23,25-29,35,37-40H,8-14H2,1-5H3/t16?,19-,20+,21-,22+,23?,25?,26?,27?,28?,29?,30-,31+,32-,33+/m0/s1 |
| InChIKey | YMLUYEXCOJEJQQ-IEYXJCPQSA-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 | 636.737 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWLU3402 |