| SpectraBase Compound ID | G3hErbBd28R |
|---|---|
| InChI | InChI=1S/C41H53ClO25/c1-15(43)53-13-26-31(57-17(3)45)35(61-21(7)49)37(63-23(9)51)40(65-26)56-12-25-11-55-39(29-28(25)33(59-19(5)47)30(42)34(29)60-20(6)48)67-41-38(64-24(10)52)36(62-22(8)50)32(58-18(4)46)27(66-41)14-54-16(2)44/h11,26-41H,12-14H2,1-10H3/t26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41+/m0/s1 |
| InChIKey | KNTJVFLNAPJQGS-PBGYGYALSA-N |
| Mol Weight | 981.3 g/mol |
| Molecular Formula | C41H53ClO25 |
| Exact Mass | 980.256445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DsMybl3QMTl |
|---|---|
| Name | GLUCOPYRANOSYL-MENTZEFOLIOL-DECAACETATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H53ClO25 |
| InChI | InChI=1S/C41H53ClO25/c1-15(43)53-13-26-31(57-17(3)45)35(61-21(7)49)37(63-23(9)51)40(65-26)56-12-25-11-55-39(29-28(25)33(59-19(5)47)30(42)34(29)60-20(6)48)67-41-38(64-24(10)52)36(62-22(8)50)32(58-18(4)46)27(66-41)14-54-16(2)44/h11,26-41H,12-14H2,1-10H3/t26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41+/m0/s1 |
| InChIKey | KNTJVFLNAPJQGS-PBGYGYALSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 981.310 g/mol |
| Sample ID | 37805 |
| Solvent | CDCl3 |