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<non-diterpenoid compound in glessite AND succinite by Py-GC-MS"corresponds to compound XIa in Anderson & Winans - 1991" =>1,2,3,4,4a,7,8,8a - octahydro - 1.alpha.,4a.beta.,5,6 - tetramethyl - naphthalene
SpectraBase Compound ID AapYUBieG9t
InChI InChI=1S/C16H26O2/c1-11-7-8-13-15(3,12(11)2)9-6-10-16(13,4)14(17)18-5/h13H,6-10H2,1-5H3/t13?,15-,16+/m0/s1
InChIKey ZDBHTOUIMFQJLE-PXWJKWRZSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8huPjn43akM
Name 1,2,3,4,4a,7,8,8a - octahydro - 1.alpha.,4a.beta.,5,6 - tetramethyl - naphthalene
Alternate Name(s) - 1.beta.-carboxylic acid methyl ester Methyl (1R,4aR)-1,4a,5,6-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenecarboxylate
CAS Registry Number 95863-47-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-11-7-8-13-15(3,12(11)2)9-6-10-16(13,4)14(17)18-5/h13H,6-10H2,1-5H3/t13?,15-,16+/m0/s1
InChIKey ZDBHTOUIMFQJLE-PXWJKWRZSA-N
Molecular Weight 250.382 g/mol
SMILES [C@]12(C([C@@](C(=O)OC)(C)CCC2)CCC(=C1C)C)C
SPLASH splash10-05ox-5910000000-75b7bccece3cb99f5ab3
Source of Spectrum Va-0-0-0
Wiley ID 741790