| SpectraBase Compound ID | BprquRyBuDB |
|---|---|
| InChI | InChI=1S/C31H44O8/c1-20-12-14-36-24(16-20)11-13-31(35-4)28-19-27(39-31)30(34)26(32)18-22(3)15-21(2)17-25-9-5-7-23(37-25)8-6-10-29(33)38-28/h5-7,10-13,21,23-28,30,32,34H,3,8-9,14-19H2,1-2,4H3/b10-6-,13-11+/t21-,23-,24+,25-,26-,27+,28-,30-,31+/m0/s1 |
| InChIKey | SZVPVYZZKFBESC-ROKXZQSJSA-N |
| Mol Weight | 544.7 g/mol |
| Molecular Formula | C31H44O8 |
| Exact Mass | 544.303618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CEXPTE6RYMT |
|---|---|
| Name | 20-METHOXY-FIJIANOLIDE_A |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H44O8 |
| InChI | InChI=1S/C31H44O8/c1-20-12-14-36-24(16-20)11-13-31(35-4)28-19-27(39-31)30(34)26(32)18-22(3)15-21(2)17-25-9-5-7-23(37-25)8-6-10-29(33)38-28/h5-7,10-13,21,23-28,30,32,34H,3,8-9,14-19H2,1-2,4H3/b10-6-,13-11+/t21-,23-,24+,25-,26-,27+,28-,30-,31+/m0/s1 |
| InChIKey | SZVPVYZZKFBESC-ROKXZQSJSA-N |
| Literature Reference Author | T.A.JOHNSON,J.SOHN,W.D.INMAN,S.A.ESTEE,S.T.LOVERIDGE,H.C.VER VOORT,K.TENNEY,J.LIU |
| Literature Reference Citation | J.NAT.PROD.,74,2545(2011) |
| Literature Reference DOI | 10.1021/np200673b |
| Molecular Weight | 544.686 g/mol |
| Sample ID | 39649 |
| Solvent | C6D6 |