| SpectraBase Compound ID | 4XW35LgQIoK |
|---|---|
| InChI | InChI=1S/C45H70O17/c1-21-33-29(62-45(21)13-8-23(20-57-45)19-56-32(49)17-42(3,55)16-31(47)48)15-28-26-7-6-24-14-25(9-11-43(24,4)27(26)10-12-44(28,33)5)59-41-39(37(53)35(51)30(18-46)60-41)61-40-38(54)36(52)34(50)22(2)58-40/h6,21-23,25-30,33-41,46,50-55H,7-20H2,1-5H3,(H,47,48)/t21-,22-,23-,25-,26+,27-,28-,29-,30+,33-,34-,35+,36+,37-,38+,39+,40-,41+,42?,43-,44-,45+/m0/s1 |
| InChIKey | KRFYMPRAIPKTAI-CXYRYEDHSA-N |
| Mol Weight | 883.0 g/mol |
| Molecular Formula | C45H70O17 |
| Exact Mass | 882.461301 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EbZrvL9k6bp |
|---|---|
| Name | BROWNIOSIDE;(25-R)-27-O-(3-HYDROXY-3-METHYLGLUTAROYL)-SPIROST-5-EN-3-BETA,27-DIOL_3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H70O17 |
| InChI | InChI=1S/C45H70O17/c1-21-33-29(62-45(21)13-8-23(20-57-45)19-56-32(49)17-42(3,55)16-31(47)48)15-28-26-7-6-24-14-25(9-11-43(24,4)27(26)10-12-44(28,33)5)59-41-39(37(53)35(51)30(18-46)60-41)61-40-38(54)36(52)34(50)22(2)58-40/h6,21-23,25-30,33-41,46,50-55H,7-20H2,1-5H3,(H,47,48)/t21-,22-,23-,25-,26+,27-,28-,29-,30+,33-,34-,35+,36+,37-,38+,39+,40-,41+,42?,43-,44-,45+/m0/s1 |
| InChIKey | KRFYMPRAIPKTAI-CXYRYEDHSA-N |
| Literature Reference Author | Y.MIMAKI,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,29,2267(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)83050-B |
| Molecular Weight | 883.041 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ22444 |