| SpectraBase Compound ID | B8hRbay0m2 |
|---|---|
| InChI | InChI=1S/C34H50O12/c1-11-22(37)42-15-33-21(43-18(6)35)13-20-24(31(20,8)9)27(33)32(10,46-19(7)36)30(40)34(41)14-17(5)26(44-23(38)12-2)25(34)28(33)45-29(39)16(3)4/h16-17,20-21,24-28,41H,11-15H2,1-10H3/t17-,20-,21+,24-,25?,26-,27?,28+,32-,33+,34+/m0/s1 |
| InChIKey | ADUFIUPYZSUZKB-QHWGETBJSA-N |
| Mol Weight | 650.8 g/mol |
| Molecular Formula | C34H50O12 |
| Exact Mass | 650.330227 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FvrfoeSdcMc |
|---|---|
| Name | Premyrsinol-3,17-dipropanoate-5-isobutyrate - 7,13-Diacetate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H50O12 |
| InChI | InChI=1S/C34H50O12/c1-11-22(37)42-15-33-21(43-18(6)35)13-20-24(31(20,8)9)27(33)32(10,46-19(7)36)30(40)34(41)14-17(5)26(44-23(38)12-2)25(34)28(33)45-29(39)16(3)4/h16-17,20-21,24-28,41H,11-15H2,1-10H3/t17-,20-,21+,24-,25?,26-,27?,28+,32-,33+,34+/m0/s1 |
| InChIKey | ADUFIUPYZSUZKB-QHWGETBJSA-N |
| Molecular Weight | 650.762 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)CC)(OC(=O)C(C)C)[H])[C@]([C@@](C)(C1)[H])(OC(=O)CC)[H] |
| SPLASH | splash10-0a4i-9000000000-80d752b0ff0666918c05 |
| Source of Spectrum | G4-62-1403-4 |
| Wiley ID | 1608045 |