| SpectraBase Compound ID | BrE54ADfZne |
|---|---|
| InChI | InChI=1S/C40H44O22/c1-4-18-19-11-12-53-35(50)22(19)14-55-38(18)62-40-34(60-36(51)20-7-5-9-23(44)27(20)46)33(56-17(3)43)32(26(58-40)15-54-16(2)42)59-37(52)21-8-6-10-24(45)31(21)61-39-30(49)29(48)28(47)25(13-41)57-39/h4-10,14,18-19,25-26,28-30,32-34,38-41,44-49H,1,11-13,15H2,2-3H3/t18-,19+,25-,26+,28-,29+,30-,32+,33-,34+,38+,39+,40-/m1/s1 |
| InChIKey | PCQHAARAQYTSDQ-PDTYILBUSA-N |
| Mol Weight | 876.8 g/mol |
| Molecular Formula | C40H44O22 |
| Exact Mass | 876.232423 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I6gjnJHb8mZ |
|---|---|
| Name | ISOMACROPHYLLOSIDE |
| Compound Number | 55 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H44O22 |
| InChI | InChI=1S/C40H44O22/c1-4-18-19-11-12-53-35(50)22(19)14-55-38(18)62-40-34(60-36(51)20-7-5-9-23(44)27(20)46)33(56-17(3)43)32(26(58-40)15-54-16(2)42)59-37(52)21-8-6-10-24(45)31(21)61-39-30(49)29(48)28(47)25(13-41)57-39/h4-10,14,18-19,25-26,28-30,32-34,38-41,44-49H,1,11-13,15H2,2-3H3/t18-,19+,25-,26+,28-,29+,30-,32+,33-,34+,38+,39+,40-/m1/s1 |
| InChIKey | PCQHAARAQYTSDQ-PDTYILBUSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,689(2007) |
| Literature Reference DOI | 10.1248/cpb.55.689 |
| Molecular Weight | 876.776 g/mol |
| Sample ID | 37467 |
| Solvent | CD3OD |