| SpectraBase Compound ID | tOui1ZW6cV |
|---|---|
| InChI | InChI=1S/C30H40O9/c1-15(24(36)37)10-16(31)14-27(5,38)19-13-22(34)29(7)28(19,6)21(33)12-18-26(4)9-8-20(32)25(2,3)17(26)11-23(35)30(18,29)39/h12-13,15,17,22,34,38-39H,8-11,14H2,1-7H3,(H,36,37)/t15?,17?,22-,26+,27-,28+,29-,30-/m1/s1 |
| InChIKey | KSROOTXYLRZSJU-NKPIDOOFSA-N |
| Mol Weight | 544.6 g/mol |
| Molecular Formula | C30H40O9 |
| Exact Mass | 544.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EbgWPgT1zFW |
|---|---|
| Name | ELFVINGIC-ACID-G;8-BETA,15-BETA,20S-TRIHYDROXY-3,7,12,23-TETRAOXOLANOST-9(11),16-DIEN-26-OIC-ACID |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H40O9 |
| InChI | InChI=1S/C30H40O9/c1-15(24(36)37)10-16(31)14-27(5,38)19-13-22(34)29(7)28(19,6)21(33)12-18-26(4)9-8-20(32)25(2,3)17(26)11-23(35)30(18,29)39/h12-13,15,17,22,34,38-39H,8-11,14H2,1-7H3,(H,36,37)/t15?,17?,22-,26+,27-,28+,29-,30-/m1/s1 |
| InChIKey | KSROOTXYLRZSJU-NKPIDOOFSA-N |
| Literature Reference Author | K.YOSHIKAWA,N.NISHIMURA,S.BANDO,S.ARIHARA,E.MATSUMURA,S.KATA YAMA |
| Literature Reference Citation | J.NAT.PROD.,65,548(2002) |
| Literature Reference DOI | 10.1021/np0103160 |
| Molecular Weight | 544.642 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI5618 |