| SpectraBase Compound ID | LrsKpPJGC9u |
|---|---|
| InChI | InChI=1S/C22H34O5/c1-13(12-20(25)26)11-19(27-16(4)23)22(6)14(2)9-10-21(5)15(3)17(24)7-8-18(21)22/h12,14,17-19,24H,3,7-11H2,1-2,4-6H3,(H,25,26)/b13-12+/t14-,17+,18+,19+,21+,22+/m1/s1 |
| InChIKey | VTPJBCUNWKVPKU-CSZOOFJLSA-N |
| Mol Weight | 378.5 g/mol |
| Molecular Formula | C22H34O5 |
| Exact Mass | 378.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2DQgLp4ElEN |
|---|---|
| Name | 11R*-ACETOXY-3-BETA-HYDROXYNEOClERODA-4(18),13E-DIEN-15-OIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H34O5 |
| InChI | InChI=1S/C22H34O5/c1-13(12-20(25)26)11-19(27-16(4)23)22(6)14(2)9-10-21(5)15(3)17(24)7-8-18(21)22/h12,14,17-19,24H,3,7-11H2,1-2,4-6H3,(H,25,26)/b13-12+/t14-,17+,18+,19+,21+,22+/m1/s1 |
| InChIKey | VTPJBCUNWKVPKU-CSZOOFJLSA-N |
| Literature Reference Author | P.M.OLIVEIRA,A.A.FERREIRA,D.SILVEIRA,R.B.ALVES,G.V.RODRIGUES ,V.P.EMERENCIANO,D.S |
| Literature Reference Citation | J.NAT.PROD.,68,588(2005) |
| Literature Reference DOI | 10.1021/np049827n |
| Molecular Weight | 378.509 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ9605 |