| SpectraBase Compound ID | IBrK06AfRGq |
|---|---|
| InChI | InChI=1S/C25H36O4/c1-14(10-23(28)15(2)26)21-6-7-22-20-13-24(29)17-11-16(4-5-18(27)12-17)19(20)8-9-25(21,22)3/h4,10,13,15,17-19,21-23,26-28H,5-9,11-12H2,1-3H3/b14-10+/t15-,17-,18-,19+,21?,22-,23+,25+/m0/s1 |
| InChIKey | HDGOYEAHQQCXLC-IADQJWOWSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C25H36O4 |
| Exact Mass | 400.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KSk1QIbKDLQ |
|---|---|
| Name | NEOCYCLOCITRINOL_B |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O4 |
| InChI | InChI=1S/C25H36O4/c1-14(10-23(28)15(2)26)21-6-7-22-20-13-24(29)17-11-16(4-5-18(27)12-17)19(20)8-9-25(21,22)3/h4,10,13,15,17-19,21-23,26-28H,5-9,11-12H2,1-3H3/b14-10+/t15-,17-,18-,19+,21?,22-,23+,25+/m0/s1 |
| InChIKey | HDGOYEAHQQCXLC-IADQJWOWSA-N |
| Literature Reference Author | L.DU,T.ZHU,Y.FANG,Q.GU,W.ZHU |
| Literature Reference Citation | J.NAT.PROD.,71,1343(2008) |
| Literature Reference DOI | 10.1021/np8000442 |
| Molecular Weight | 400.558 g/mol |
| Sample ID | 28434 |
| Solvent | DMSO-D6 |