| SpectraBase Compound ID | 9zNzNGiBHXd |
|---|---|
| InChI | InChI=1S/C25H36O5/c1-14(26)8-9-24(2,30)22-7-6-20-19-12-21(28)16-10-15(4-5-17(27)11-16)18(19)13-23(29)25(20,22)3/h4,8-9,12,14,16-18,20,22-23,26-27,29-30H,5-7,10-11,13H2,1-3H3/b9-8+/t14-,16+,17+,18-,20+,22?,23-,24?,25+/m1/s1 |
| InChIKey | AFQNOXKKFXOCEO-VBCUCKGGSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C25H36O5 |
| Exact Mass | 416.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JvTZOu1jSc8 |
|---|---|
| Name | 12-R-HYDROXYCYCLOCITRINOL |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O5 |
| InChI | InChI=1S/C25H36O5/c1-14(26)8-9-24(2,30)22-7-6-20-19-12-21(28)16-10-15(4-5-17(27)11-16)18(19)13-23(29)25(20,22)3/h4,8-9,12,14,16-18,20,22-23,26-27,29-30H,5-7,10-11,13H2,1-3H3/b9-8+/t14-,16+,17+,18-,20+,22?,23-,24?,25+/m1/s1 |
| InChIKey | AFQNOXKKFXOCEO-VBCUCKGGSA-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 | 416.558 g/mol |
| Sample ID | 28432 |
| Solvent | DMSO-D6 |