| SpectraBase Compound ID | BeGJgFHwCHn |
|---|---|
| InChI | InChI=1S/C23H38O2Si/c1-16(2)17-9-11-19-18(15-17)10-12-20-22(19,3)13-8-14-23(20,4)21(24)25-26(5,6)7/h10,15-16,19-20H,8-9,11-14H2,1-7H3 |
| InChIKey | RXWFRYPIQODUHW-UHFFFAOYSA-N |
| Mol Weight | 374.6 g/mol |
| Molecular Formula | C23H38O2Si |
| Exact Mass | 374.264107 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6gxZuj05dv7 |
|---|---|
| Name | abietic acid, 1TMS |
| Comments | Derivatization type: 1 TMS (mass: 374.264); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000960; Note: The molecular formula of the structure shown is C20H30O2 - which differs from the formula reported for the mass spectrum (C23H38O2Si) |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H38O2Si |
| InChI | InChI=1S/C23H38O2Si/c1-16(2)17-9-11-19-18(15-17)10-12-20-22(19,3)13-8-14-23(20,4)21(24)25-26(5,6)7/h10,15-16,19-20H,8-9,11-14H2,1-7H3 |
| InChIKey | RXWFRYPIQODUHW-UHFFFAOYSA-N |
| Molecular Weight | 374.640 g/mol |
| SMILES | CC(C)C=1CCC2C(=CCC3C2(C)CCCC3(C)C(=O)O[Si](C)(C)C)C1 |
| SPLASH | splash10-052f-2920000000-f2425c68cf9486dc9a84 |
| Source of Spectrum | FM-2019-960-0 |
| Synonyms | Abietic acid dimer, 1TMS Abietic acid, dimer, 1TMS ABIETIC ACID, 1TMS NCIOpen2_007684, 1TMS NSC13163, 1TMS NSC58970, 1TMS 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid, 1TMS Trimethylsilyl 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate |
| Wiley ID | 1818620 |