| SpectraBase Compound ID | UF448pyTRA |
|---|---|
| InChI | InChI=1S/C30H40O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h10,15,17,19,21,25,34,36H,8-9,11-13H2,1-7H3,(H,37,38)/b14-10+/t15?,17-,19?,21-,25+,28+,29+,30+/m1/s1 |
| InChIKey | PEGUBVVGNSOOBD-WQGAQGQZSA-N |
| Mol Weight | 528.6 g/mol |
| Molecular Formula | C30H40O8 |
| Exact Mass | 528.272318 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LSfbC4u4VfA |
|---|---|
| Name | ELFVINGIC-ACID-A;12-ALPHA,15-BETA-DIHYDROXY-3,7,11,23-TETRAOXOLANOSTA-8,(20Z)(22)-DIEN-OIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H40O8 |
| InChI | InChI=1S/C30H40O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h10,15,17,19,21,25,34,36H,8-9,11-13H2,1-7H3,(H,37,38)/b14-10+/t15?,17-,19?,21-,25+,28+,29+,30+/m1/s1 |
| InChIKey | PEGUBVVGNSOOBD-WQGAQGQZSA-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 | 528.643 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI5611 |