| SpectraBase Compound ID | 9uEHb454KUL |
|---|---|
| InChI | InChI=1S/C25H36O4/c1-15(26)8-11-25(3,29)23-7-6-21-20-14-22(28)17-12-16(4-5-18(27)13-17)19(20)9-10-24(21,23)2/h4,8,11,14-15,17-19,21,23,26-27,29H,5-7,9-10,12-13H2,1-3H3/b11-8+/t15-,17+,18+,19-,21+,23?,24+,25-/m1/s1 |
| InChIKey | QZAMIRPHNVBTIV-QMZNCHOOSA-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 | GOKwFLVCW1J |
|---|---|
| Name | CYCLOCITRINOL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O4 |
| InChI | InChI=1S/C25H36O4/c1-15(26)8-11-25(3,29)23-7-6-21-20-14-22(28)17-12-16(4-5-18(27)13-17)19(20)9-10-24(21,23)2/h4,8,11,14-15,17-19,21,23,26-27,29H,5-7,9-10,12-13H2,1-3H3/b11-8+/t15-,17+,18+,19-,21+,23?,24+,25-/m1/s1 |
| InChIKey | QZAMIRPHNVBTIV-QMZNCHOOSA-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 | 28428 |
| Solvent | DMSO-D6 |