| SpectraBase Compound ID | 5xO3gR104kf |
|---|---|
| InChI | InChI=1S/C36H42O13/c1-16-9-24(39)27-22(13-37)7-5-20(11-35(16,27)45)18(3)32(43)48-31-26(14-38)47-34(30(42)29(31)41)46-15-23-8-6-21-12-36(49-33(44)19(21)4)17(2)10-25(40)28(23)36/h9-10,20-21,26,29-31,34,37-38,41-42,45H,3-8,11-15H2,1-2H3/t20-,21-,26-,29-,30-,31-,34-,35+,36+/m1/s1 |
| InChIKey | ZEETYDSXZRFRER-ZGKKBNFYSA-N |
| Mol Weight | 682.7 g/mol |
| Molecular Formula | C36H42O13 |
| Exact Mass | 682.262541 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GJgjkHN1Nod |
|---|---|
| Name | 14-HYDROXYHYPOCRETENOLIDE-BETA-D-GLUCOPYRANOSIDE-4',14''-HYDROXYHYPOCRETENOATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H42O13 |
| InChI | InChI=1S/C36H42O13/c1-16-9-24(39)27-22(13-37)7-5-20(11-35(16,27)45)18(3)32(43)48-31-26(14-38)47-34(30(42)29(31)41)46-15-23-8-6-21-12-36(49-33(44)19(21)4)17(2)10-25(40)28(23)36/h9-10,20-21,26,29-31,34,37-38,41-42,45H,3-8,11-15H2,1-2H3/t20-,21-,26-,29-,30-,31-,34-,35+,36+/m1/s1 |
| InChIKey | ZEETYDSXZRFRER-ZGKKBNFYSA-N |
| Literature Reference Author | C.ZIDORN,E.P.ELLMERER-MUELLER,H.STUPPNER |
| Literature Reference Citation | PHYTOCHEM.,49,797(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)01031-5 |
| Molecular Weight | 682.722 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU320 |