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Cacospongiolide E - Acetate
SpectraBase Compound ID Js6NT6bttY4
InChI InChI=1S/C27H38O5/c1-19-9-8-10-23-25(19,3)15-11-21-12-16-31-27(32-20(2)28,22-17-24(29)30-18-22)14-7-5-6-13-26(21,23)4/h5,7,9,17,21,23H,6,8,10-16,18H2,1-4H3/b7-5-/t21-,23+,25+,26+,27+/m1/s1
InChIKey FXQAKZOHEHUXQL-PNEIOKNPSA-N
Mol Weight 442.6 g/mol
Molecular Formula C27H38O5
Exact Mass 442.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3Vlk3AgOP9
Name Cacospongiolide E - Acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O5
InChI InChI=1S/C27H38O5/c1-19-9-8-10-23-25(19,3)15-11-21-12-16-31-27(32-20(2)28,22-17-24(29)30-18-22)14-7-5-6-13-26(21,23)4/h5,7,9,17,21,23H,6,8,10-16,18H2,1-4H3/b7-5-/t21-,23+,25+,26+,27+/m1/s1
InChIKey FXQAKZOHEHUXQL-PNEIOKNPSA-N
Molecular Weight 442.596 g/mol
SMILES C1([C@]2(OC(=O)C)OCC[C@@]3([C@]([C@]4(CCC=C([C@@]4(CC3)C)C)[H])(C)CCC=CC2)[H])=CC(=O)OC1
SPLASH splash10-0006-0900000000-e11a536d4d6c130dea00
Source of Spectrum G4-61-934-4
Wiley ID 1607379