| SpectraBase Compound ID | KxUYdpJvRf7 |
|---|---|
| InChI | InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h10-11,16,22,24,28H,1,3,6-9,12-15,17H2,2,4-5H3,(H,29,30)/t22-,24-,26+,27+/m1/s1 |
| InChIKey | VTVMRXMYDVQASV-CIOIWQPASA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C27H38O3 |
| Exact Mass | 410.282095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BND0ipvo6GQ |
|---|---|
| Name | (+)-ISOJASPIC_ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H38O3 |
| InChI | InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h10-11,16,22,24,28H,1,3,6-9,12-15,17H2,2,4-5H3,(H,29,30)/t22-,24-,26+,27+/m1/s1 |
| InChIKey | VTVMRXMYDVQASV-CIOIWQPASA-N |
| Literature Reference Author | B.K.RUBIO,R.W.M.VANSOEST,P.CREWS |
| Literature Reference Citation | J.NAT.PROD.,70,628(2007) |
| Literature Reference DOI | 10.1021/np060633c |
| Molecular Weight | 410.597 g/mol |
| Sample ID | 30168 |
| Solvent | CDCl3 |