| SpectraBase Compound ID | FXZ4rJ2iIrO |
|---|---|
| InChI | InChI=1S/C9H12O5/c1-3-2-13-8(11)4-5-6(14-5)7(10)9(3,4)12/h2,4-8,10-12H,1H3/t4?,5-,6-,7-,8-,9+/m1/s1 |
| InChIKey | BEPSPJNQDRJMRF-KTTWVITLSA-N |
| Mol Weight | 200.19 g/mol |
| Molecular Formula | C9H12O5 |
| Exact Mass | 200.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GEAaLvGY2id |
|---|---|
| Name | BETA-SCABROGENIN |
| Compound Number | 304 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C9H12O5 |
| InChI | InChI=1S/C9H12O5/c1-3-2-13-8(11)4-5-6(14-5)7(10)9(3,4)12/h2,4-8,10-12H,1H3/t4?,5-,6-,7-,8-,9+/m1/s1 |
| InChIKey | BEPSPJNQDRJMRF-KTTWVITLSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 200.191 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ16265 |