| SpectraBase Compound ID | JgzTrHjomYI |
|---|---|
| InChI | InChI=1S/C32H50O5/c1-19-11-16-32(26(34)35)18-17-29(6)21(25(32)31(19,8)36)9-10-23-28(5)14-13-24(37-20(2)33)27(3,4)22(28)12-15-30(23,29)7/h9,19,22-25,36H,10-18H2,1-8H3,(H,34,35)/t19-,22+,23-,24+,25-,28+,29-,30-,31-,32+/m1/s1 |
| InChIKey | KIJYSICAJWQCER-LKZNCAPQSA-N |
| Mol Weight | 514.7 g/mol |
| Molecular Formula | C32H50O5 |
| Exact Mass | 514.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8B4t1h0GOKr |
|---|---|
| Name | POMOLIC_ACID_3-BETA-ACETATE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50O5 |
| InChI | InChI=1S/C32H50O5/c1-19-11-16-32(26(34)35)18-17-29(6)21(25(32)31(19,8)36)9-10-23-28(5)14-13-24(37-20(2)33)27(3,4)22(28)12-15-30(23,29)7/h9,19,22-25,36H,10-18H2,1-8H3,(H,34,35)/t19-,22+,23-,24+,25-,28+,29-,30-,31-,32+/m1/s1 |
| InChIKey | KIJYSICAJWQCER-LKZNCAPQSA-N |
| Literature Reference Author | B.M.FRAGA,C.E.DIAZ,N.QUINTANA |
| Literature Reference Citation | J.NAT.PROD.,69,1092(2006) |
| Literature Reference DOI | 10.1021/np0680026 |
| Molecular Weight | 514.746 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ15661 |