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Pinusolide
SpectraBase Compound ID 5IJflFvLnud
InChI InChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3/t16-,17?,20+,21-/m0/s1
InChIKey WTKBZJAWPZXKJU-MSLCQOBGSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4FmP4SBkE4
Name Pinusolide (8(17),13-labdadien-16,15-olid-19-oic acid methyl ester)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3/t16-,17?,20+,21-/m0/s1
InChIKey WTKBZJAWPZXKJU-MSLCQOBGSA-N
Molecular Weight 346.467 g/mol
SMILES [C@@]12(C([C@](C(=O)OC)(C)CCC2)CCC([C@@]1(CCC=1C(OCC1)=O)[H])=C)C
SPLASH splash10-0a6r-7900000000-0a7572952529b3ded658
Source of Spectrum QB-19-594-1
Synonyms (1S,4aR,5S)-1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-furan-3-yl)-ethyl]-decahydro-naphthalene-1-carboxylic acid methyl ester Methyl (5S)-1,4a-dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenecarboxylate (1S,4aR,5S)-1,4a-dimethyl-6-methylene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid methyl ester Methyl (1S,4aR,5S)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate Methyl (1S,4aR,5S)-1,4a-dimethyl-6-methylene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]decalin-1-carboxylate Methyl (1S,4aR,5S)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxidanylidene-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
Wiley ID 842010