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1-Naphthaleneacetic acid, decahydro-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylene-, methyl ester, [1S-(1.alpha.,4a.beta.,5.alpha.,8a.alpha.)]-
SpectraBase Compound ID 8q7DeJsz8gP
InChI InChI=1S/C18H28O4/c1-12-7-8-14-17(2,13(12)11-15(19)21-4)9-6-10-18(14,3)16(20)22-5/h13-14H,1,6-11H2,2-5H3/t13-,14+,17+,18+/m0/s1
InChIKey PEEWTCSWPSHLQM-MJSCVDMRSA-N
Mol Weight 308.42 g/mol
Molecular Formula C18H28O4
Exact Mass 308.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHmT2sbJmkO
Name 1-Naphthaleneacetic acid, decahydro-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylene-, methyl ester, [1S-(1.alpha.,4a.beta.,5.alpha.,8a.alpha.)]-
CAS Registry Number 39668-50-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O4
InChI InChI=1S/C18H28O4/c1-12-7-8-14-17(2,13(12)11-15(19)21-4)9-6-10-18(14,3)16(20)22-5/h13-14H,1,6-11H2,2-5H3/t13-,14+,17+,18+/m0/s1
InChIKey PEEWTCSWPSHLQM-MJSCVDMRSA-N
Molecular Weight 308.418 g/mol
SMILES [C@@]12([C@]([C@@](C(=O)OC)(C)CCC2)(CCC([C@@]1(CC(=O)OC)[H])=C)[H])C
SPLASH splash10-05x1-0970000000-1e8d3133954bcc645c26
Source of Spectrum B-37-414-0
Synonyms Dimethyl 13,14,15,16-tetranorlabd-8-ene-12,19-dioate Methyl (1R,4aR,5S,8aR)-5-(2-methoxy-2-oxoethyl)-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylate
Wiley ID 1309908