| SpectraBase Compound ID | AjHhP2eYJMu |
|---|---|
| InChI | InChI=1S/C31H54O5Si/c1-21-13-14-25-30(8)17-12-16-29(6,7)24(30)15-18-31(25,9)26(21)27(33)34-19-23(36-22(2)32)20-35-37(10,11)28(3,4)5/h13,23-26H,12,14-20H2,1-11H3/t23-,24?,25+,26-,30-,31+/m1/s1 |
| InChIKey | PLOAPZDSIGCNFJ-IKWNHDMQSA-N |
| Mol Weight | 534.9 g/mol |
| Molecular Formula | C31H54O5Si |
| Exact Mass | 534.374051 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 32BQFeRnM6l |
|---|---|
| Name | Isocopalic acid 1,2-diacyl-3-(tert-butyldimethylsilyl)glycerol ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H54O5Si |
| InChI | InChI=1S/C31H54O5Si/c1-21-13-14-25-30(8)17-12-16-29(6,7)24(30)15-18-31(25,9)26(21)27(33)34-19-23(36-22(2)32)20-35-37(10,11)28(3,4)5/h13,23-26H,12,14-20H2,1-11H3/t23-,24?,25+,26-,30-,31+/m1/s1 |
| InChIKey | PLOAPZDSIGCNFJ-IKWNHDMQSA-N |
| Molecular Weight | 534.853 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCCC(C3CC2)(C)C)C)(CC=C([C@@]1(C(OC[C@@](OC(=O)C)(CO[Si](C(C)(C)C)(C)C)[H])=O)[H])C)[H])C |
| SPLASH | splash10-019r-0931300000-74ddf5e203e4c09cb4e8 |
| Source of Spectrum | F-56-2511-2h |
| Synonyms | (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)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypropyl] ester [(2R)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypropyl] (1S,4aS,4bR,10aS)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylate [(2R)-2-acetoxy-3-[tert-butyl(dimethyl)silyl]oxy-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)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-propyl] (1S,4aS,4bR,10aS)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylate |
| Wiley ID | 856608 |