| SpectraBase Compound ID | 5lVfvk7Atw2 |
|---|---|
| InChI | InChI=1S/C44H74O19/c1-18(16-57-39-36(54)33(51)32(50)28(14-45)60-39)7-10-44(56)19(2)30-27(63-44)12-23-21-6-5-20-11-26(24(47)13-43(20,4)22(21)8-9-42(23,30)3)59-41-37(55)34(52)38(29(15-46)61-41)62-40-35(53)31(49)25(48)17-58-40/h18-41,45-56H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+,28+,29+,30+,31+,32+,33-,34+,35-,36+,37+,38+,39+,40+,41+,42?,43?,44?/m1/s1 |
| InChIKey | CQMKGWHJFNHDAO-PZASICNGSA-N |
| Mol Weight | 907.1 g/mol |
| Molecular Formula | C44H74O19 |
| Exact Mass | 906.48243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EkeLTozAADm |
|---|---|
| Name | #8;TRIGONEOSIDE-XIB;26-O-BETA-D-GLUCOPYRANOSYL-2-ALPHA,3-BETA,22-XI,26-TETRAHYDROXY-(25R)-5-ALPHA-FUROSTANE-3-O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H74O19 |
| InChI | InChI=1S/C44H74O19/c1-18(16-57-39-36(54)33(51)32(50)28(14-45)60-39)7-10-44(56)19(2)30-27(63-44)12-23-21-6-5-20-11-26(24(47)13-43(20,4)22(21)8-9-42(23,30)3)59-41-37(55)34(52)38(29(15-46)61-41)62-40-35(53)31(49)25(48)17-58-40/h18-41,45-56H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+,28+,29+,30+,31+,32+,33-,34+,35-,36+,37+,38+,39+,40+,41+,42?,43?,44?/m1/s1 |
| InChIKey | CQMKGWHJFNHDAO-PZASICNGSA-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 | 907.060 g/mol |
| Sample ID | 968753 |
| Solvent | C5D5N |