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Agatadiol
SpectraBase Compound ID ELeA2IjXd1u
InChI InChI=1S/C20H34O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h10,17-18,21-22H,2,5-9,11-14H2,1,3-4H3/b15-10-/t17-,18-,19+,20+/m0/s1
InChIKey MJHWZTRFACWHTA-HJOXEDPKSA-N
Mol Weight 306.5 g/mol
Molecular Formula C20H34O2
Exact Mass 306.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hq5mJBFD4oQ
Name Agatadiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O2
InChI InChI=1S/C20H34O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h10,17-18,21-22H,2,5-9,11-14H2,1,3-4H3/b15-10-/t17-,18-,19+,20+/m0/s1
InChIKey MJHWZTRFACWHTA-HJOXEDPKSA-N
Literature Reference DOI 10.1002/jccs.200300022
Molecular Weight 306.490 g/mol
SMILES OC\C=C/(CC[C@@]1([C@@]2([C@]([C@@](CO)(CCC2)C)(CCC1=C)[H])C)[H])C
SPLASH splash10-0a59-9833000000-4c150564d1d298f7c650
Source of Spectrum QA-50-165-14
Synonyms (Z)-5-((1S,4aR,5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)-3-methylpent-2-en-1-ol
Wiley ID 1795712