| SpectraBase Compound ID | KxYV2nfKB4u |
|---|---|
| InChI | InChI=1S/C29H52O4Si/c1-20-12-13-23-28(7)16-11-15-27(5,6)22(28)14-17-29(23,8)24(20)25(31)32-18-21(30)19-33-34(9,10)26(2,3)4/h12,21-24,30H,11,13-19H2,1-10H3/t21-,22?,23+,24-,28-,29+/m1/s1 |
| InChIKey | KPORMSDRBIVSFV-ZSEYVRODSA-N |
| Mol Weight | 492.8 g/mol |
| Molecular Formula | C29H52O4Si |
| Exact Mass | 492.363487 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | iPWy74ZvaV |
|---|---|
| Name | Isocopalic acid 1-acyl-3-(tert-butyldimethylsilyl)glycerol ester |
| Alternate Name(s) | (1S,4aS,4bR,10aS)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylic acid [(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] ester [(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] (1S,4aS,4bR,10aS)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylate [(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-propyl] (1S,4aS,4bR,10aS)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylate [(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-oxidanyl-propyl] (1S,4aS,4bR,10aS)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H52O4Si |
| InChI | InChI=1S/C29H52O4Si/c1-20-12-13-23-28(7)16-11-15-27(5,6)22(28)14-17-29(23,8)24(20)25(31)32-18-21(30)19-33-34(9,10)26(2,3)4/h12,21-24,30H,11,13-19H2,1-10H3/t21-,22?,23+,24-,28-,29+/m1/s1 |
| InChIKey | KPORMSDRBIVSFV-ZSEYVRODSA-N |
| Molecular Weight | 492.816 g/mol |
| SMILES | O[C@@](CO[Si](C(C)(C)C)(C)C)(COC([C@@]1([C@@]2([C@]([C@@]3(CCCC(C3CC2)(C)C)C)(CC=C1C)[H])C)[H])=O)[H] |
| SPLASH | splash10-0a4r-0960000000-66d5840a250a1da1693f |
| Source of Spectrum | F-56-2511-2 |
| Wiley ID | 856609 |