SpectraBase Compound ID | LtB98cbC44W |
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InChI | InChI=1S/C28H44/c1-18(2)19(3)11-12-20(4)26-13-14-27-25-17-22-9-7-8-10-23(22)21(5)24(25)15-16-28(26,27)6/h17-20,26-27H,7-16H2,1-6H3 |
InChIKey | VYNNDVGUBCCCGT-UHFFFAOYSA-N |
Mol Weight | 380.7 g/mol |
Molecular Formula | C28H44 |
Exact Mass | 380.344301 g/mol |
SpectraBase Spectrum ID | C3c74y6EHDu |
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Name | Anthraegostatrine |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 380.344301417 u |
Formula | C28H44 |
InChI | InChI=1S/C28H44/c1-18(2)19(3)11-12-20(4)26-13-14-27-25-17-22-9-7-8-10-23(22)21(5)24(25)15-16-28(26,27)6/h17-20,26-27H,7-16H2,1-6H3 |
InChIKey | VYNNDVGUBCCCGT-UHFFFAOYSA-N |
Molecular Weight | 380.660 g/mol |
SMILES | C1(=C2CCCCC2=CC2=C1CCC1(C2CCC1C(CCC(C(C)C)C)C)C)C |