| SpectraBase Compound ID | 564Bo5QxiP2 |
|---|---|
| InChI | InChI=1S/C39H50O13/c1-9-22(3)32(41)48-27-16-18-37(8,45)39-30(50-33(42)23(4)10-2)28(36(6,7)52-39)29(49-34(43)25-14-12-11-13-15-25)31(38(27,39)21-47-24(5)40)51-35(44)26-17-19-46-20-26/h11-15,17,19-20,22-23,27-31,45H,9-10,16,18,21H2,1-8H3/t22?,23?,27-,28-,29-,30+,31-,37-,38-,39-/m0/s1 |
| InChIKey | JDBBOSXBGSMLEY-KJIBLSSXSA-N |
| Mol Weight | 726.8 g/mol |
| Molecular Formula | C39H50O13 |
| Exact Mass | 726.325142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BeCYQu83EDu |
|---|---|
| Name | 1-S,6-R-DI-(2-)-METHYLBUTANOYLOXY-4-S-HYDROXY-8-S-BENZOYLOXY-9-R-(3-)-FURANCARBONYLOXY-13-ACETYLOXY-BETA-DIHYDROAGAROFURAN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H50O13 |
| InChI | InChI=1S/C39H50O13/c1-9-22(3)32(41)48-27-16-18-37(8,45)39-30(50-33(42)23(4)10-2)28(36(6,7)52-39)29(49-34(43)25-14-12-11-13-15-25)31(38(27,39)21-47-24(5)40)51-35(44)26-17-19-46-20-26/h11-15,17,19-20,22-23,27-31,45H,9-10,16,18,21H2,1-8H3/t22?,23?,27-,28-,29-,30+,31-,37-,38-,39-/m0/s1 |
| InChIKey | JDBBOSXBGSMLEY-KJIBLSSXSA-N |
| Literature Reference Author | H.WANG,X.TIAN |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,219(2006) |
| Literature Reference DOI | 10.1248/cpb.54.219 |
| Molecular Weight | 726.818 g/mol |
| Sample ID | 37102 |
| Solvent | CDCl3 |