| SpectraBase Compound ID | 3O2gFnp2kaz |
|---|---|
| InChI | InChI=1S/C32H46O12/c1-14(2)27(37)43-26-23-24(42-18(6)35)15(3)12-32(23,39)28(38)30(10,44-19(7)36)25-22-20(29(22,8)9)11-21(41-17(5)34)31(25,26)13-40-16(4)33/h14-15,20-26,39H,11-13H2,1-10H3/t15-,20-,21+,22-,23+,24-,25-,26+,30-,31+,32+/m0/s1 |
| InChIKey | ZMOIGFFTSFEHJH-PDJXXINVSA-N |
| Mol Weight | 622.7 g/mol |
| Molecular Formula | C32H46O12 |
| Exact Mass | 622.298927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 87uCSqod8qB |
|---|---|
| Name | PREMYRSINOL-3-PROPANOATE-5-ISOBUTYRATE-7,13,17-TRIACETATE |
| Compound Number | 4G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H46O12 |
| InChI | InChI=1S/C32H46O12/c1-14(2)27(37)43-26-23-24(42-18(6)35)15(3)12-32(23,39)28(38)30(10,44-19(7)36)25-22-20(29(22,8)9)11-21(41-17(5)34)31(25,26)13-40-16(4)33/h14-15,20-26,39H,11-13H2,1-10H3/t15-,20-,21+,22-,23+,24-,25-,26+,30-,31+,32+/m0/s1 |
| InChIKey | ZMOIGFFTSFEHJH-PDJXXINVSA-N |
| Literature Reference Author | G.APPENDINO,E.BELLORO,G.C.TRON,J.JAKUPOVIC,M.BALLERO |
| Literature Reference Citation | J.NAT.PROD.,62,1399(1999) |
| Literature Reference DOI | 10.1021/np990209u |
| Molecular Weight | 622.710 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS20812 |