| SpectraBase Compound ID | Ii9EyfKhhc9 |
|---|---|
| InChI | InChI=1S/C30H44O9/c1-14-22(32)25(35-4)23(33)27(37-14)38-17-7-9-28(2)16(12-17)5-6-19-21(28)24-26(39-24)29(3)18(8-10-30(19,29)34)15-11-20(31)36-13-15/h11,14,16-19,21-27,32-34H,5-10,12-13H2,1-4H3/t14-,16-,17+,18-,19-,21-,22-,23-,24+,25+,26+,27-,28+,29+,30+/m1/s1 |
| InChIKey | IMZJQCFFLONCLT-SFMBNSNHSA-N |
| Mol Weight | 548.7 g/mol |
| Molecular Formula | C30H44O9 |
| Exact Mass | 548.298533 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3n8qpKp27vt |
|---|---|
| Name | DEACETYLCERBERTIN,(3-BETA-O-ALPHA-L-THEVETOSID,5-BETA-H,11-ALPHA,12-ALPHA-EPOXY) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44O9 |
| InChI | InChI=1S/C30H44O9/c1-14-22(32)25(35-4)23(33)27(37-14)38-17-7-9-28(2)16(12-17)5-6-19-21(28)24-26(39-24)29(3)18(8-10-30(19,29)34)15-11-20(31)36-13-15/h11,14,16-19,21-27,32-34H,5-10,12-13H2,1-4H3/t14-,16-,17+,18-,19-,21-,22-,23-,24+,25+,26+,27-,28+,29+,30+/m1/s1 |
| InChIKey | IMZJQCFFLONCLT-SFMBNSNHSA-N |
| Literature Reference Author | L.BROWN,H.T.A.CHEUNG,R.THOMAS,T.R.WATSON,J.L.E.NEMORIN |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1779(1981) |
| Literature Reference DOI | 10.1039/p19810001779 |
| Molecular Weight | 548.674 g/mol |
| Solvent | CDCl3:DMSO |
| Source File Reference | UNIW8524 |