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Arenolide
SpectraBase Compound ID HdFgwM26Vu2
InChI InChI=1S/C25H42O6/c1-17(7-5-8-22(28)16-20(4)26)14-24-15-19(3)13-23(29)12-18(2)11-21(27)9-6-10-25(30)31-24/h11,20-24,26-29H,1,3,5-10,12-16H2,2,4H3/b18-11+/t20?,21-,22?,23+,24+/m1/s1
InChIKey ZDRUEHAANPCQTG-NARSDYRHSA-N
Mol Weight 438.6 g/mol
Molecular Formula C25H42O6
Exact Mass 438.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMVnftH2quv
Name Arenolide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H42O6
InChI InChI=1S/C25H42O6/c1-17(7-5-8-22(28)16-20(4)26)14-24-15-19(3)13-23(29)12-18(2)11-21(27)9-6-10-25(30)31-24/h11,20-24,26-29H,1,3,5-10,12-16H2,2,4H3/b18-11+/t20?,21-,22?,23+,24+/m1/s1
InChIKey ZDRUEHAANPCQTG-NARSDYRHSA-N
Molecular Weight 438.605 g/mol
SMILES OC(CC(CCCC(C[C@]1(CC(C[C@](C\C(=C\[C@@](CCCC(O1)=O)(O)[H])C)(O)[H])=C)[H])=C)O)C
SPLASH splash10-0api-0900000000-554d6bcf87e36308de38
Source of Spectrum G4-61-1099-4
Synonyms (6R,7E,10R,14S)-14-(6,8-dihydroxy-2-methylene-nonyl)-6,10-dihydroxy-8-methyl-12-methylene-1-oxacyclotetradec-7-en-2-one (6R,7E,10R,14S)-14-(6,8-dihydroxy-2-methylidenenonyl)-6,10-dihydroxy-8-methyl-12-methylidene-1-oxacyclotetradec-7-en-2-one (6R,7E,10R,14S)-14-[2-(4,6-dihydroxyheptyl)allyl]-6,10-dihydroxy-8-methyl-12-methylene-1-oxacyclotetradec-7-en-2-one (6R,7E,10R,14S)-8-methyl-12-methylidene-14-[2-methylidene-6,8-bis(oxidanyl)nonyl]-6,10-bis(oxidanyl)-1-oxacyclotetradec-7-en-2-one
Wiley ID 1607398