![ASTRAILIENIN-A;3-O-[BETA-D-APIOFURANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE-CYCLOASTRAGENOL](/api/spectrum/5LJbIJnfVWf/structure.png?h=300&w=458 "ASTRAILIENIN-A;3-O-[BETA-D-APIOFURANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE-CYCLOASTRAGENOL")
| SpectraBase Compound ID | ImJ5xpTDbkS |
|---|---|
| InChI | InChI=1S/C41H68O14/c1-34(2)24(53-32-28(27(47)26(46)22(16-42)52-32)54-33-31(48)41(50,18-43)19-51-33)9-11-40-17-39(40)13-12-36(5)30(38(7)10-8-25(55-38)35(3,4)49)21(45)15-37(36,6)23(39)14-20(44)29(34)40/h20-33,42-50H,8-19H2,1-7H3/t20-,21-,22+,23-,24-,25-,26+,27-,28+,29-,30-,31-,32-,33-,36+,37-,38+,39-,40+,41+/m0/s1 |
| InChIKey | DMAOFWOOOIHKPU-NNGAJOSASA-N |
| Mol Weight | 785.0 g/mol |
| Molecular Formula | C41H68O14 |
| Exact Mass | 784.460907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5LJbIJnfVWf |
|---|---|
| Name | ASTRAILIENIN-A;3-O-[BETA-D-APIOFURANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE-CYCLOASTRAGENOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H68O14 |
| InChI | InChI=1S/C41H68O14/c1-34(2)24(53-32-28(27(47)26(46)22(16-42)52-32)54-33-31(48)41(50,18-43)19-51-33)9-11-40-17-39(40)13-12-36(5)30(38(7)10-8-25(55-38)35(3,4)49)21(45)15-37(36,6)23(39)14-20(44)29(34)40/h20-33,42-50H,8-19H2,1-7H3/t20-,21-,22+,23-,24-,25-,26+,27-,28+,29-,30-,31-,32-,33-,36+,37-,38+,39-,40+,41+/m0/s1 |
| InChIKey | DMAOFWOOOIHKPU-NNGAJOSASA-N |
| Literature Reference Author | C.YU-QUN,A.GULI,L.YONG-RONG |
| Literature Reference Citation | PHYTOCHEM.,29,1941(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85044-G |
| Molecular Weight | 784.983 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU32209 |