SpectraBase Compound ID | LOcbRvGmZwk |
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InChI | InChI=1S/C25H38O4/c1-8-17(3)23(28)29-19-14-24(5,6)21-12-10-18(4)20(25(21,7)15-19)11-9-16(2)13-22(26)27/h8,10,13,19-21H,9,11-12,14-15H2,1-7H3,(H,26,27)/b16-13-,17-8-/t19-,20-,21-,25+/m1/s1 |
InChIKey | LEMSFGHOXFQURQ-GLBIYOOKSA-N |
Mol Weight | 402.6 g/mol |
Molecular Formula | C25H38O4 |
Exact Mass | 402.27701 g/mol |
SpectraBase Spectrum ID | 9MYqgQlvcT9 |
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Name | Dendroidinic acid |
CAS Registry Number | 63147-19-3 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C25H38O4 |
InChI | InChI=1S/C25H38O4/c1-8-17(3)23(28)29-19-14-24(5,6)21-12-10-18(4)20(25(21,7)15-19)11-9-16(2)13-22(26)27/h8,10,13,19-21H,9,11-12,14-15H2,1-7H3,(H,26,27)/b16-13-,17-8-/t19-,20-,21-,25+/m1/s1 |
InChIKey | LEMSFGHOXFQURQ-GLBIYOOKSA-N |
Molecular Weight | 402.575 g/mol |
SMILES | OC(\C=C/(CC[C@]1([C@]2([C@@](C(C)(C)C[C@@](OC(\C(=C/C)C)=O)(C2)[H])(CC=C1C)[H])C)[H])C)=O |
SPLASH | splash10-0pc0-9030000000-c1509854e17e8be3f89d |
Source of Spectrum | K-110-1328-0 |
Wiley ID | 1370558 |