| SpectraBase Compound ID | KuIRGcwg85X |
|---|---|
| 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-DGJPWVCJSA-N |
| Mol Weight | 622.7 g/mol |
| Molecular Formula | C32H46O12 |
| Exact Mass | 622.298927 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KroYwegG9uV |
|---|---|
| Name | Premyrsinol-3-propanoate-5-isobutyrate - 7,13,17-Triacetate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. 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-DGJPWVCJSA-N |
| Molecular Weight | 622.708 g/mol |
| SMILES | O[C@@]12C([C@]([C@]3(C([C@]4(C(C)(C)[C@]4(C[C@]3(OC(=O)C)[H])[H])[H])[C@@](C2=O)(OC(=O)C)C)COC(=O)C)(OC(=O)C(C)C)[H])[C@]([C@@](C)(C1)[H])(OC(=O)C)[H] |
| SPLASH | splash10-00di-9000000000-023a2dd5e373e2752b1c |
| Source of Spectrum | G4-62-1403-4 |
| Wiley ID | 1608043 |