| SpectraBase Compound ID | 1kOShEKnNyp |
|---|---|
| InChI | InChI=1S/C30H46O5/c1-25(2)13-14-29(23(32)33)15-16-30(24(34)35)18(19(29)17-25)7-8-21-27(5)11-10-22(31)26(3,4)20(27)9-12-28(21,30)6/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19?,20?,21?,22-,27-,28+,29-,30+/m0/s1 |
| InChIKey | NGAUATZUWHZXEK-IETWDQMYSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C30H46O5 |
| Exact Mass | 486.334525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4YxEIfarIm7 |
|---|---|
| Name | CINCHOLIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O5 |
| InChI | InChI=1S/C30H46O5/c1-25(2)13-14-29(23(32)33)15-16-30(24(34)35)18(19(29)17-25)7-8-21-27(5)11-10-22(31)26(3,4)20(27)9-12-28(21,30)6/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19?,20?,21?,22-,27-,28+,29-,30+/m0/s1 |
| InChIKey | NGAUATZUWHZXEK-IETWDQMYSA-N |
| Literature Reference Author | A.RUMBRERO-SANCHEZ,P.VAZQUEZ |
| Literature Reference Citation | PHYTOCHEM.,30,623(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)83739-8 |
| Molecular Weight | 486.692 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI25350 |