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1-Naphthaleneacetic acid, decahydro-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylene-, ethyl ester, [1S-(1.alpha.,4a.beta.,5.alpha.,8a.alpha.)]-
SpectraBase Compound ID CNldaTHKHLL
InChI InChI=1S/C19H30O4/c1-6-23-16(20)12-14-13(2)8-9-15-18(14,3)10-7-11-19(15,4)17(21)22-5/h14-15H,2,6-12H2,1,3-5H3/t14-,15+,18+,19+/m0/s1
InChIKey HKIXIOIDHVAFTO-OSGQAZFXSA-N
Mol Weight 322.45 g/mol
Molecular Formula C19H30O4
Exact Mass 322.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABfBf27SPE6
Name 1-Naphthaleneacetic acid, decahydro-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylene-, ethyl ester, [1S-(1.alpha.,4a.beta.,5.alpha.,8a.alpha.)]-
Alternate Name(s) 12-Ethyl 19-methyl 13,14,15,16-tetranorlabd-8(17)-ene-12,19-dioate Methyl (1R,4aR,5S,8aR)-5-(2-ethoxy-2-oxoethyl)-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylate
CAS Registry Number 126570-28-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O4
InChI InChI=1S/C19H30O4/c1-6-23-16(20)12-14-13(2)8-9-15-18(14,3)10-7-11-19(15,4)17(21)22-5/h14-15H,2,6-12H2,1,3-5H3/t14-,15+,18+,19+/m0/s1
InChIKey HKIXIOIDHVAFTO-OSGQAZFXSA-N
Molecular Weight 322.445 g/mol
SMILES [C@@]12([C@]([C@@](C(=O)OC)(C)CCC2)(CCC([C@@]1(CC(=O)OCC)[H])=C)[H])C
SPLASH splash10-00di-0910000000-eb02d64b436d358bb696
Source of Spectrum B-42-507-41
Wiley ID 1321836