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25-Deoxycacospongionolide B
SpectraBase Compound ID 7Pae8Pb9dIC
InChI InChI=1S/C25H36O3/c1-17-7-5-8-22-24(3,12-6-13-25(17,22)4)14-11-19-9-10-21(27-16-19)20-15-23(26)28-18(20)2/h9,15,18,21-22H,1,5-8,10-14,16H2,2-4H3/t18?,21?,22-,24-,25+/m0/s1
InChIKey LUMAEGRQNIBVGF-KKJNAEDPSA-N
Mol Weight 384.6 g/mol
Molecular Formula C25H36O3
Exact Mass 384.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42hQn13DwEk
Name 25-Deoxycacospongionolide B
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O3
InChI InChI=1S/C25H36O3/c1-17-7-5-8-22-24(3,12-6-13-25(17,22)4)14-11-19-9-10-21(27-16-19)20-15-23(26)28-18(20)2/h9,15,18,21-22H,1,5-8,10-14,16H2,2-4H3/t18?,21?,22-,24-,25+/m0/s1
InChIKey LUMAEGRQNIBVGF-KKJNAEDPSA-N
Molecular Weight 384.560 g/mol
SMILES C1(=CC(=O)OC1C)C1OCC(=CC1)CC[C@]1([C@]2([C@](C(=C)CCC2)(C)CCC1)[H])C
SPLASH splash10-002o-0902000000-fe46f39fd9113c929f98
Source of Spectrum F-51-10735-3
Synonyms 4-(5-{2-[(1S,4aS,8aS)-1,4a-dimethyl-5-methylenedecahydro-1-naphthalenyl]ethyl}-3,6-dihydro-2H-pyran-2-yl)-5-methyl-2(5H)-furanone
Wiley ID 793688