| SpectraBase Compound ID | IP0L7bmYWTP |
|---|---|
| InChI | InChI=1S/C36H54O12/c1-17-13-27(48-31(42)18(17)2)35(6,43)25-10-12-36(44)23-8-7-20-14-21(46-32-30(41)29(40)28(39)24(16-37)47-32)15-26(45-19(3)38)34(20,5)22(23)9-11-33(25,36)4/h7,21-30,32,37,39-41,43-44H,8-16H2,1-6H3/t21-,22+,23-,24-,25?,26+,27-,28-,29+,30-,32-,33-,34+,35?,36-/m1/s1 |
| InChIKey | ACXRDVCAKSUCPM-MIVPEOPTSA-N |
| Mol Weight | 678.8 g/mol |
| Molecular Formula | C36H54O12 |
| Exact Mass | 678.361527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CnmdMwiN9iU |
|---|---|
| Name | (20R,22R)-1-ALPHA-ACETOXY-14-ALPHA,20-DIHYDROXYWITHA-5,24-DIENOLIDE-3-BETA-(O-BETA-D-GLUCOPYRANOSIDE) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O12 |
| InChI | InChI=1S/C36H54O12/c1-17-13-27(48-31(42)18(17)2)35(6,43)25-10-12-36(44)23-8-7-20-14-21(46-32-30(41)29(40)28(39)24(16-37)47-32)15-26(45-19(3)38)34(20,5)22(23)9-11-33(25,36)4/h7,21-30,32,37,39-41,43-44H,8-16H2,1-6H3/t21-,22+,23-,24-,25?,26+,27-,28-,29+,30-,32-,33-,34+,35?,36-/m1/s1 |
| InChIKey | ACXRDVCAKSUCPM-MIVPEOPTSA-N |
| Literature Reference Author | S.AHMAD,R.YASMIN,A.MALIK |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,477(1999) |
| Literature Reference DOI | 10.1248/cpb.47.477 |
| Molecular Weight | 678.818 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU7910 |