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Casospongionolide
SpectraBase Compound ID IjsWEefkkJj
InChI InChI=1S/C25H36O4/c1-16-7-9-19-20(6-5-12-24(19,2)3)25(16,4)13-11-17-8-10-21(28-15-17)18-14-22(26)29-23(18)27/h8-9,14,16,20-21,23,27H,5-7,10-13,15H2,1-4H3/t16-,20?,21+,23+,25-/m1/s1
InChIKey GWCZMTHDKIPBNV-KSIYWXLLSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5zArxWWUyw
Name Casospongionolide
CAS Registry Number 116079-49-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O4
InChI InChI=1S/C25H36O4/c1-16-7-9-19-20(6-5-12-24(19,2)3)25(16,4)13-11-17-8-10-21(28-15-17)18-14-22(26)29-23(18)27/h8-9,14,16,20-21,23,27H,5-7,10-13,15H2,1-4H3/t16-,20?,21+,23+,25-/m1/s1
InChIKey GWCZMTHDKIPBNV-KSIYWXLLSA-N
Molecular Weight 400.559 g/mol
SMILES O[C@@]1(C(=CC(=O)O1)[C@]1(OCC(=CC1)CC[C@]1(C2C(C(C)(C)CCC2)=CC[C@]1(C)[H])C)[H])[H]
SPLASH splash10-000f-0900000000-ad77fdf053b494fdbe75
Source of Spectrum J-53-5022-4
Synonyms (5S)-5-hydroxy-4-((2S)-5-{2-[(1R,2R)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenyl]ethyl}-3,6-dihydro-2H-pyran-2-yl)-2(5H)-furanone Cacospongiolide E Cacospongionolide B
Wiley ID 1369590