| SpectraBase Compound ID | 5pE1aDWSFlR |
|---|---|
| InChI | InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+/t20-,23-,24-/m1/s1 |
| InChIKey | UJZQBMQZMKFSRV-INJYRCFNSA-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 | 6H1DAdT1yTw |
|---|---|
| Name | CLINOPODIC-ACID-N |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H22O12 |
| InChI | InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+/t20-,23-,24-/m1/s1 |
| InChIKey | UJZQBMQZMKFSRV-INJYRCFNSA-N |
| Literature Reference Author | H.AOSHIMA,T.MIYASE,T.WARASHINA |
| Literature Reference Citation | CHEM.PHARM.BULL.,60,499(2012) |
| Literature Reference DOI | 10.1248/cpb.60.499 |
| Molecular Weight | 538.464 g/mol |
| Source File Reference | UWBT4464 |