| SpectraBase Compound ID | 9gAI17UnU6s |
|---|---|
| InChI | InChI=1S/C22H28O7/c1-12-7-18(28-13(2)23)21-10-26-19-20(12,8-15(29-19)14-5-6-25-9-14)16(21)3-4-17(24)22(21)11-27-22/h5-6,9,12,15-19,24H,3-4,7-8,10-11H2,1-2H3/t12-,15+,16?,17+,18+,19-,20-,21+,22-/m1/s1 |
| InChIKey | FCSFSCWZIVDVQE-DRERPNHOSA-N |
| Mol Weight | 404.46 g/mol |
| Molecular Formula | C22H28O7 |
| Exact Mass | 404.183503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 83nMfd8kJLL |
|---|---|
| Name | 3-BETA-HYDROXYTEUBUTILIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28O7 |
| InChI | InChI=1S/C22H28O7/c1-12-7-18(28-13(2)23)21-10-26-19-20(12,8-15(29-19)14-5-6-25-9-14)16(21)3-4-17(24)22(21)11-27-22/h5-6,9,12,15-19,24H,3-4,7-8,10-11H2,1-2H3/t12-,15+,16?,17+,18+,19-,20-,21+,22-/m1/s1 |
| InChIKey | FCSFSCWZIVDVQE-DRERPNHOSA-N |
| Literature Reference Author | M.BRUNO,M.L.BONDI,S.ROSSELLI,A.MAGGIO,F.PIOZZI,N.A.ARNOLD |
| Literature Reference Citation | J.NAT.PROD.,65,142(2002) |
| Literature Reference DOI | 10.1021/np010303m |
| Molecular Weight | 404.460 g/mol |
| Solvent | Unknown |
| Source File Reference | UWSI2739 |