| SpectraBase Compound ID | 31fOB4452wM |
|---|---|
| InChI | InChI=1S/C26H32O13/c1-12-20-15(9-19(30)36-12)16(24(33)34-2)11-35-25(20)39-26-22(32)21(31)23(17(10-27)37-26)38-18(29)8-5-13-3-6-14(28)7-4-13/h3-8,11-12,15,17,19-23,25-28,30-32H,9-10H2,1-2H3/b8-5+/t12-,15?,17-,19-,20?,21-,22-,23-,25-,26+/m0/s1 |
| InChIKey | MTUMMDQRYQYNPV-OFRHCHHASA-N |
| Mol Weight | 552.5 g/mol |
| Molecular Formula | C26H32O13 |
| Exact Mass | 552.184291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HdvSW47ktTV |
|---|---|
| Name | 4'-O-TRANS-PARA-COUMAROYL-7-ALPHA-MORRONISIDE |
| Compound Number | 169 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H32O13 |
| InChI | InChI=1S/C26H32O13/c1-12-20-15(9-19(30)36-12)16(24(33)34-2)11-35-25(20)39-26-22(32)21(31)23(17(10-27)37-26)38-18(29)8-5-13-3-6-14(28)7-4-13/h3-8,11-12,15,17,19-23,25-28,30-32H,9-10H2,1-2H3/b8-5+/t12-,15?,17-,19-,20?,21-,22-,23-,25-,26+/m0/s1 |
| InChIKey | MTUMMDQRYQYNPV-OFRHCHHASA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,54,1173(1991) |
| Literature Reference DOI | 10.1021/np50077a001 |
| Molecular Weight | 552.532 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS4540 |