| SpectraBase Compound ID | EHtMBraADyw |
|---|---|
| InChI | InChI=1S/C44H70O18/c1-18(15-56-41-38(54)35(51)33(49)29(14-45)61-41)5-6-27-19(2)31-28(60-27)13-23-21-12-25(46)24-11-20(7-9-43(24,3)22(21)8-10-44(23,31)4)59-42-39(55)36(52)34(50)30(62-42)17-58-40-37(53)32(48)26(47)16-57-40/h18,20-24,26,28-42,45,47-55H,5-17H2,1-4H3/t18-,20+,21-,22+,23+,24-,26+,28+,29-,30-,31+,32+,33-,34-,35+,36+,37-,38-,39-,40+,41-,42-,43?,44?/m1/s1 |
| InChIKey | ZKCRBHUUXPULDX-UMWWZABBSA-N |
| Mol Weight | 887.0 g/mol |
| Molecular Formula | C44H70O18 |
| Exact Mass | 886.456215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4yNPf4jiUFA |
|---|---|
| Name | #64;CHINENOSIDE-III;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,26-DIHYDROXY-(25R)-5-ALPHA-FUROST-6-ON-20(22)-ENE-3-O-ALPHA-L-ARABINOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H70O18 |
| InChI | InChI=1S/C44H70O18/c1-18(15-56-41-38(54)35(51)33(49)29(14-45)61-41)5-6-27-19(2)31-28(60-27)13-23-21-12-25(46)24-11-20(7-9-43(24,3)22(21)8-10-44(23,31)4)59-42-39(55)36(52)34(50)30(62-42)17-58-40-37(53)32(48)26(47)16-57-40/h18,20-24,26,28-42,45,47-55H,5-17H2,1-4H3/t18-,20+,21-,22+,23+,24-,26+,28+,29-,30-,31+,32+,33-,34-,35+,36+,37-,38-,39-,40+,41-,42-,43?,44?/m1/s1 |
| InChIKey | ZKCRBHUUXPULDX-UMWWZABBSA-N |
| Literature Reference Author | P.K.AGRAWAL |
| Literature Reference Citation | STEROIDS,70,715(2005) |
| Literature Reference DOI | 10.1016/j.steroids.2005.04.001 |
| Molecular Weight | 887.029 g/mol |
| Sample ID | 968809 |
| Solvent | C5D5N |