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(4aR,5S,6R,8aR)-5-[2-(5-Methoxy-2-oxo-2,5-dihydro-furan-3-yl)-ethyl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid

View entire compound with spectra: 1 MS (GC)

(4aR,5S,6R,8aR)-5-[2-(5-Methoxy-2-oxo-2,5-dihydro-furan-3-yl)-ethyl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid
SpectraBase Compound ID AZKxkjKainq
InChI InChI=1S/C21H30O5/c1-13-8-10-21(3)15(18(22)23)6-5-7-16(21)20(13,2)11-9-14-12-17(25-4)26-19(14)24/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,22,23)/t13-,16-,17?,20+,21+/m1/s1
InChIKey LKCDRCCSEGFFNK-CULFUZIZSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrzBHNwyCAs
Name (4aR,5S,6R,8aR)-5-[2-(5-Methoxy-2-oxo-2,5-dihydro-furan-3-yl)-ethyl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-13-8-10-21(3)15(18(22)23)6-5-7-16(21)20(13,2)11-9-14-12-17(25-4)26-19(14)24/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,22,23)/t13-,16-,17?,20+,21+/m1/s1
InChIKey LKCDRCCSEGFFNK-CULFUZIZSA-N
Molecular Weight 362.466 g/mol
SMILES OC(C=1[C@]2([C@@]([C@](CCC=3C(OC(C3)OC)=O)(C)[C@@](CC2)(C)[H])(CCC1)[H])C)=O
SPLASH splash10-0fmm-0297000000-c540bebc7739b6bdfcae
Source of Spectrum H-87-688-2
Synonyms (4aR,5S,6R,8aR)-5-[2-(5-methoxy-2-oxo-2,5-dihydro-3-furanyl)ethyl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid 5-[2'-(2'',5''-Dihydro-5''-methoxy-2''-oxofuran-3''-yl)ethyl]-(octahydro)-5,6,8a-trimethylnaphthalene-1-carboxylic Acid
Wiley ID 1563677