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ent-Atis-16-en-19-oic Acid
SpectraBase Compound ID J6cv6IsDOfV
InChI InChI=1S/C20H30O2/c1-13-12-20-9-5-14(13)11-16(20)18(2)7-4-8-19(3,17(21)22)15(18)6-10-20/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1
InChIKey KBVCTDDCRBZGIO-OTCXFQBHSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27U6WYhaYds
Name ent-Atis-16-en-19-oic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-13-12-20-9-5-14(13)11-16(20)18(2)7-4-8-19(3,17(21)22)15(18)6-10-20/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1
InChIKey KBVCTDDCRBZGIO-OTCXFQBHSA-N
Literature Reference DOI 10.1002/hlca.201200305
Molecular Weight 302.458 g/mol
SMILES OC([C@@]1(CCC[C@@]2([C@]1([H])CC[C@@]13CC([C@@](C[C@@]23[H])(CC1)[H])=C)C)C)=O
SPLASH splash10-0006-9371000000-fbef0da1f4c309d8f578
Source of Spectrum H-96-868-4a
Synonyms (3R,4aR,4bS,8R,8aS,10aR)-4b,8-dimethyl-2-methylenedodecahydro-1H-3,10a-ethanophenanthrene-8-carboxylic acid
Wiley ID 1784754