| SpectraBase Compound ID | GTuYgBp0iL0 |
|---|---|
| InChI | InChI=1S/C27H22O12/c28-15-4-1-11(7-17(15)30)8-19(26(35)36)39-20(32)6-3-12-9-14-21(13-2-5-16(29)18(31)10-13)23(27(37)38)22(12)25(34)24(14)33/h1-7,9-10,14,19,21-23,28-31H,8H2,(H,35,36)(H,37,38)/b6-3+/t14-,19?,21+,22+,23-/m1/s1 |
| InChIKey | LOTDZLWYGRUAKZ-QGSRGFRNSA-N |
| Mol Weight | 538.46 g/mol |
| Molecular Formula | C27H22O12 |
| Exact Mass | 538.111126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8bTfcYD5z9e |
|---|---|
| Name | YUNNANEIC-ACID-C |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H22O12 |
| InChI | InChI=1S/C27H22O12/c28-15-4-1-11(7-17(15)30)8-19(26(35)36)39-20(32)6-3-12-9-14-21(13-2-5-16(29)18(31)10-13)23(27(37)38)22(12)25(34)24(14)33/h1-7,9-10,14,19,21-23,28-31H,8H2,(H,35,36)(H,37,38)/b6-3+/t14-,19?,21+,22+,23-/m1/s1 |
| InChIKey | LOTDZLWYGRUAKZ-QGSRGFRNSA-N |
| Literature Reference Author | T.TANAKA,A.NISHIMURA,I.KUONO,G.I.NONAKA,T.J.YOUNG |
| Literature Reference Citation | J.NAT.PROD.,59,843(1996) |
| Literature Reference DOI | 10.1021/np960425s |
| Molecular Weight | 538.464 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWRK834 |