| SpectraBase Compound ID | 4tzHE9TpTsI |
|---|---|
| InChI | InChI=1S/C30H38O16/c1-6-29(2,3)46-27(41)14-9-17(33)22(36)20(34)13(14)10-19(30(4,5)42)45-28-25(39)24(38)23(37)18(44-28)11-43-26(40)12-7-15(31)21(35)16(32)8-12/h6-9,18-19,23-25,28,31-39,42H,1,10-11H2,2-5H3/t18-,19?,23-,24+,25-,28+/m0/s1 |
| InChIKey | XHQSVRSYFLBIHS-SNKMBOMKSA-N |
| Mol Weight | 654.6 g/mol |
| Molecular Formula | C30H38O16 |
| Exact Mass | 654.215985 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E2cSL8l1Lna |
|---|---|
| Name | CRENULATIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H38O16 |
| InChI | InChI=1S/C30H38O16/c1-6-29(2,3)46-27(41)14-9-17(33)22(36)20(34)13(14)10-19(30(4,5)42)45-28-25(39)24(38)23(37)18(44-28)11-43-26(40)12-7-15(31)21(35)16(32)8-12/h6-9,18-19,23-25,28,31-39,42H,1,10-11H2,2-5H3/t18-,19?,23-,24+,25-,28+/m0/s1 |
| InChIKey | XHQSVRSYFLBIHS-SNKMBOMKSA-N |
| Literature Reference Author | Y.-J.PAN,R.WANG,S.-N.CHEN,Y.-Z.CHEN |
| Literature Reference Citation | PLANTA.MED.,59,80(1993) |
| Literature Reference DOI | 10.1055/s-2006-959610 |
| Molecular Weight | 654.622 g/mol |
| Solvent | ACETONE-D6:D2O |
| Source File Reference | UIAP424 |