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FOKIHODGIN_H;(12-S,13-S)-12,13-EPOXYLABDA-8-(17),14-DIEN-19-OIC_ACID
SpectraBase Compound ID DxRqiLXhClf
InChI InChI=1S/C20H30O3/c1-6-20(5)16(23-20)12-14-13(2)8-9-15-18(14,3)10-7-11-19(15,4)17(21)22/h6,14-16H,1-2,7-12H2,3-5H3,(H,21,22)/t14-,15+,16-,18+,19-,20-/m0/s1
InChIKey WGURGXZGVSMKKG-ZYLYKIMZSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L00KihAYqxi
Name (12S,13S)-12,13-epoxylabda-8(17),14-dien-19-oic acid
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-6-20(5)16(23-20)12-14-13(2)8-9-15-18(14,3)10-7-11-19(15,4)17(21)22/h6,14-16H,1-2,7-12H2,3-5H3,(H,21,22)/t14-,15+,16-,18+,19-,20-/m0/s1
InChIKey WGURGXZGVSMKKG-ZYLYKIMZSA-N
Instrument Name Waters Autospec Premier P776
Ionization Type EI
Literature Reference DOI 10.1021/np400010c
Molecular Weight 318.457 g/mol
Optical Rotation [a]D27 = +25.6 (c = 0.3, MeOH)
Reported Formula C20H30O3
SMILES OC([C@@]1([C@]2([C@](CCC1)([C@](C(CC2)=C)(C[C@]1([H])O[C@]1(C=C)C)[H])C)[H])C)=O
SPLASH splash10-05ai-9810000000-129140471021ac3f6a50
Source of Spectrum G4-76-1037-8
Synonyms Fokihodgins H
Wiley ID 1865680