| SpectraBase Compound ID | 5m5bKZTZhL8 |
|---|---|
| InChI | InChI=1S/C43H66O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h12-13,15,24-25,30-32,34-41H,11,14,16-23H2,1-10H3/b13-12+/t25-,30+,31+,32+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1 |
| InChIKey | NDQWVJQXMMWBOC-ORRCXMSMSA-N |
| Mol Weight | 743.0 g/mol |
| Molecular Formula | C43H66O10 |
| Exact Mass | 742.465598 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ByiPpmbpkA |
|---|---|
| Name | ALPHA-SPINASTEROL_BETA-D-GLUCOPYRANOSIDE_TETRAACETATE |
| Compound Number | 3-AC |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H66O10 |
| InChI | InChI=1S/C43H66O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h12-13,15,24-25,30-32,34-41H,11,14,16-23H2,1-10H3/b13-12+/t25-,30+,31+,32+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1 |
| InChIKey | NDQWVJQXMMWBOC-ORRCXMSMSA-N |
| Literature Reference Author | T.FURUYA,Y.ORIHARA,Y.TSUDA |
| Literature Reference Citation | PHYTOCHEM.,29,2539(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85184-H |
| Molecular Weight | 742.991 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ21098 |