| SpectraBase Compound ID | 5M3DBnF8kaQ |
|---|---|
| InChI | InChI=1S/C20H34O3/c1-12(2)14-5-7-19(3)10-15-13(11-21)9-17(22)18(15)20(4,23)8-6-16(14)19/h6,12-15,17-18,21-23H,5,7-11H2,1-4H3/b16-6-/t13-,14+,15+,17+,18-,19+,20-/m0/s1 |
| InChIKey | MSKFOQCDNOFJAT-VCRXIKTMSA-N |
| Mol Weight | 322.5 g/mol |
| Molecular Formula | C20H34O3 |
| Exact Mass | 322.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Aml5NgQQwW9 |
|---|---|
| Name | CYCLOOCTATIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H34O3 |
| InChI | InChI=1S/C20H34O3/c1-12(2)14-5-7-19(3)10-15-13(11-21)9-17(22)18(15)20(4,23)8-6-16(14)19/h6,12-15,17-18,21-23H,5,7-11H2,1-4H3/b16-6-/t13-,14+,15+,17+,18-,19+,20-/m0/s1 |
| InChIKey | MSKFOQCDNOFJAT-VCRXIKTMSA-N |
| Literature Reference Author | A.KAWAMURA,M.IACOVIDOU,E.HIROKAWA,C.E.SOLL,M.TRUJILLO |
| Literature Reference Citation | J.NAT.PROD.,74,492(2011) |
| Literature Reference DOI | 10.1021/np100921m |
| Molecular Weight | 322.488 g/mol |
| Sample ID | 37361 |
| Solvent | CD3OD |