| SpectraBase Compound ID | 4oj2bcrT6FE |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-12-13-4-5-17-19(2,7-3-8-20(17,11-21)18(22)23)15(13)10-16-14(12)6-9-24-16/h6,9,12-13,15,17,21H,3-5,7-8,10-11H2,1-2H3,(H,22,23)/t12-,13+,15+,17-,19-,20-/m1/s1 |
| InChIKey | PGRQEXADGLUWFM-AXOPDJDESA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4TridlmUfVL |
|---|---|
| Name | CORDYLANE_C;CASSA-12,15-DIEN-19-ALPHA-HYDROXY-18-BETA-OIC_ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-12-13-4-5-17-19(2,7-3-8-20(17,11-21)18(22)23)15(13)10-16-14(12)6-9-24-16/h6,9,12-13,15,17,21H,3-5,7-8,10-11H2,1-2H3,(H,22,23)/t12-,13+,15+,17-,19-,20-/m1/s1 |
| InChIKey | PGRQEXADGLUWFM-AXOPDJDESA-N |
| Literature Reference Author | Y.HOU,S.CAO,P.BRODIE,J.S.MILLER,C.BIRKINSHAW,F.RATOVOSON,R.R AKOTONDRAJAONA,R.AND |
| Literature Reference Citation | J.NAT.PROD.,71,150(2008) |
| Literature Reference DOI | 10.1021/np070437l |
| Molecular Weight | 332.440 g/mol |
| Sample ID | 27077 |
| Solvent | CD3OD |