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(E)-LABDA-8-(17),12,14-TRIEN-15-(16)-OLIDE
SpectraBase Compound ID LTFQe6geCVg
InChI InChI=1S/C20H28O2/c1-14-6-9-17-19(2,3)11-5-12-20(17,4)16(14)8-7-15-10-13-22-18(15)21/h7,10,13,16-17H,1,5-6,8-9,11-12H2,2-4H3/b15-7+/t16-,17-,20+/m0/s1
InChIKey JEIWGTDOPSTLQK-OFWUXJPWSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DwrTc251Cie
Name 4,4,10-Trimethyl-8-[2'-(2"(2H)-oxofuran-3"-ylidene)ethyl]-7-methylene-(perhydro)naphthalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-14-6-9-17-19(2,3)11-5-12-20(17,4)16(14)8-7-15-10-13-22-18(15)21/h7,10,13,16-17H,1,5-6,8-9,11-12H2,2-4H3/b15-7+/t16-,17-,20+/m0/s1
InChIKey JEIWGTDOPSTLQK-OFWUXJPWSA-N
Molecular Weight 300.442 g/mol
SMILES [C@@]12([C@](C(=C)CC[C@]2(C(CCC1)(C)C)[H])(C\C=C\1C(OC=C1)=O)[H])C
SPLASH splash10-03dl-4912000000-3c66131e7ec5ec69f567
Source of Spectrum G4-69-1640-3
Synonyms Labda-8(17),12,14-trien-15,16-olide (3E)-3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-2-furanone (3E)-3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]furan-2-one
Wiley ID 1694594