| SpectraBase Compound ID | J6ue59kbFo9 |
|---|---|
| InChI | InChI=1S/C23H26O5/c1-4-6-7-8-9-11-19(24)20-18-13-15-12-16(10-5-2)27-14-17(15)21(25)23(18,3)28-22(20)26/h5,10,12-14H,4,6-9,11H2,1-3H3/b10-5+ |
| InChIKey | IIPVSGPTPPURBD-BJMVGYQFSA-N |
| Mol Weight | 382.46 g/mol |
| Molecular Formula | C23H26O5 |
| Exact Mass | 382.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | YL41pTpBC5 |
|---|---|
| Name | Monascorubrin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.178023932 u |
| Formula | C23H26O5 |
| InChI | InChI=1S/C23H26O5/c1-4-6-7-8-9-11-19(24)20-18-13-15-12-16(10-5-2)27-14-17(15)21(25)23(18,3)28-22(20)26/h5,10,12-14H,4,6-9,11H2,1-3H3/b10-5+ |
| InChIKey | IIPVSGPTPPURBD-BJMVGYQFSA-N |
| Molecular Weight | 382.456 g/mol |
| SMILES | C=1(OC=C2C(C1)=CC=1C(C2=O)(OC(C1C(=O)CCCCCCC)=O)C)\C=C\C |