| SpectraBase Compound ID | Fz2nmAt3BiN |
|---|---|
| InChI | InChI=1S/C18H30O2.C12H22O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);3-20H,1-2H2/b4-3-,7-6-,10-9-;/t;3-,4+,5-,6+,7+,8-,9-,10+,11-,12+ |
| InChIKey | NYMRMAXRENJJDL-PWFKGCNESA-N |
| Mol Weight | 620.73 g/mol |
| Molecular Formula | C30H52O13 |
| Exact Mass | 620.340792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | En2XkGxRKFT |
|---|---|
| Name | ALPHA-LINOLEIC-ACID-WITH-TREHALOSE;CIS-9,12,15-OCTADECATRIENOIC-ACID-WITH-TREHALOSE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H52O13 |
| InChI | InChI=1S/C18H30O2.C12H22O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);3-20H,1-2H2/b4-3-,7-6-,10-9-;/t;3-,4+,5-,6+,7+,8-,9-,10+,11-,12+ |
| InChIKey | NYMRMAXRENJJDL-PWFKGCNESA-N |
| Literature Reference Author | K.OKU,H.WATANABE,M.KUBOTA,S.FUKUDA,M.KURIMOTO,Y.TSUJISAKA,M. KOMORI,Y.INOUE,M.SAK |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,12739(2003) |
| Literature Reference DOI | 10.1021/ja034777e |
| Molecular Weight | 620.735 g/mol |
| Sample ID | 52042 |
| Solvent | Unknown |