| SpectraBase Compound ID | Ek0ANAGUENG |
|---|---|
| InChI | InChI=1S/C28H34O9/c1-13-16-11-21(30)36-20-10-15-6-7-17(29)25(31)27(15,2)24(28(16,20)3)23(22(13)33-4)37-26(32)14-5-8-18-19(9-14)35-12-34-18/h5,8-9,13,15-17,20,22-24,29H,6-7,10-12H2,1-4H3/t13-,15-,16+,17+,20-,22+,23-,24-,27+,28-/m1/s1 |
| InChIKey | LTWXTBMMHUDLGU-YEGWBJJZSA-N |
| Mol Weight | 514.6 g/mol |
| Molecular Formula | C28H34O9 |
| Exact Mass | 514.220283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KPJ0xhcbSI6 |
|---|---|
| Name | JAVANICIN-S |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H34O9 |
| InChI | InChI=1S/C28H34O9/c1-13-16-11-21(30)36-20-10-15-6-7-17(29)25(31)27(15,2)24(28(16,20)3)23(22(13)33-4)37-26(32)14-5-8-18-19(9-14)35-12-34-18/h5,8-9,13,15-17,20,22-24,29H,6-7,10-12H2,1-4H3/t13-,15-,16+,17+,20-,22+,23-,24-,27+,28-/m1/s1 |
| InChIKey | LTWXTBMMHUDLGU-YEGWBJJZSA-N |
| Literature Reference Author | K.KOIKE,K.ISHII,K.MITSUNAGA,T.OHMOTO |
| Literature Reference Citation | J.NAT.PROD.,54,837(1991) |
| Literature Reference DOI | 10.1021/np50075a013 |
| Molecular Weight | 514.573 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS5053 |