| SpectraBase Compound ID | 7Pygjiv1M3e |
|---|---|
| InChI | InChI=1S/C30H46O4/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(32)30(18)16-23(25)34-24(30)33/h8,18-23,31-32H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,27-,28+,29+,30+/m0/s1 |
| InChIKey | GVUMSYCSEREXHD-BHUKMDKLSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C30H46O4 |
| Exact Mass | 470.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FlYAJdQ12RC |
|---|---|
| Name | ACACIC_ACID_LACTONE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O4 |
| InChI | InChI=1S/C30H46O4/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(32)30(18)16-23(25)34-24(30)33/h8,18-23,31-32H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,27-,28+,29+,30+/m0/s1 |
| InChIKey | GVUMSYCSEREXHD-BHUKMDKLSA-N |
| Literature Reference Author | S.G.MA,Y.C.HU,S.S.YU,Y.ZHANG,X.G.CHEN,J.LIU,Y.X.LIU |
| Literature Reference Citation | J.NAT.PROD.,71,41(2008) |
| Literature Reference DOI | 10.1021/np0703794 |
| Molecular Weight | 470.693 g/mol |
| Sample ID | 27104 |
| Solvent | C5D5N |