| SpectraBase Compound ID | HY3GJyQMczA |
|---|---|
| InChI | InChI=1S/C28H40O12/c1-12-17(33)10-28(35)24(40-16(5)32)22-26(8,19(37-13(2)29)9-18(34)27(22)11-36-27)23(39-15(4)31)21(38-14(3)30)20(12)25(28,6)7/h17-19,21-24,33-35H,9-11H2,1-8H3/t17-,18-,19-,21+,22-,23-,24-,26+,27+,28+/m0/s1 |
| InChIKey | PDVLDHHFZVPZOY-HIRGMTDPSA-N |
| Mol Weight | 568.6 g/mol |
| Molecular Formula | C28H40O12 |
| Exact Mass | 568.251977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hZtZXcqE5p |
|---|---|
| Name | 5,13-DIACETYL-1-BETA-HYDROXYBACCATIN-I |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40O12 |
| InChI | InChI=1S/C28H40O12/c1-12-17(33)10-28(35)24(40-16(5)32)22-26(8,19(37-13(2)29)9-18(34)27(22)11-36-27)23(39-15(4)31)21(38-14(3)30)20(12)25(28,6)7/h17-19,21-24,33-35H,9-11H2,1-8H3/t17-,18-,19-,21+,22-,23-,24-,26+,27+,28+/m0/s1 |
| InChIKey | PDVLDHHFZVPZOY-HIRGMTDPSA-N |
| Literature Reference Author | J.ZHANG,L.ZHANG,X.WANG,D.QIU,D.SUN,J.GU,Q.FANG |
| Literature Reference Citation | J.NAT.PROD.,61,497(1998) |
| Literature Reference DOI | 10.1021/np960647q |
| Molecular Weight | 568.618 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWKP109 |