| SpectraBase Compound ID | CnZcw5saTik |
|---|---|
| InChI | 1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21-,22-,25+,26-,27+,28-/m1/s1 |
| InChIKey | KPDOJFFZKAUIOE-MFPNAYRGSA-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 | 1B7wsWpOiu7 |
|---|---|
| Name | Nomilin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 514.220282666 u |
| Formula | C28H34O9 |
| InChI | 1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21-,22-,25+,26-,27+,28-/m1/s1 |
| InChIKey | KPDOJFFZKAUIOE-MFPNAYRGSA-N |
| Molecular Weight | 514.571 g/mol |
| SMILES | [C@@]12([H])CC[C@@]3(C)[C@](C4=COC=C4)(OC([C@@]4([H])O[C@@]34[C@]2(C)C(=O)C[C@@]2([C@@]1([C@](CC(OC2(C)C)=O)(OC(=O)C)[H])C)[H])=O)[H] |