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1-Naphthaleneacetic acid, decahydro-5-(methoxycarbonyl)-5,8a-dimethyl-2-oxo-, methyl ester, [1R-(1.alpha.,4a.beta.,5.alpha.,8a.al pha.)]-
SpectraBase Compound ID H4tZITOoRQv
InChI InChI=1S/C17H26O5/c1-16-8-5-9-17(2,15(20)22-4)13(16)7-6-12(18)11(16)10-14(19)21-3/h11,13H,5-10H2,1-4H3/t11-,13+,16+,17+/m0/s1
InChIKey PFGNKHWISJVOOT-OUENDJJVSA-N
Mol Weight 310.39 g/mol
Molecular Formula C17H26O5
Exact Mass 310.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2lPattRRbq
Name 1-Naphthaleneacetic acid, decahydro-5-(methoxycarbonyl)-5,8a-dimethyl-2-oxo-, methyl ester, [1R-(1.alpha.,4a.beta.,5.alpha.,8a.al pha.)]-
Alternate Name(s) Dimethyl 8-oxo-13,14,15,16,17-pentanorlabdane-12,19-dioate Methyl (1R,4aS,5R,8aR)-5-(2-methoxy-2-oxoethyl)-1,4a-dimethyl-6-oxodecahydro-1-naphthalenecarboxylate
CAS Registry Number 81800-51-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O5
InChI InChI=1S/C17H26O5/c1-16-8-5-9-17(2,15(20)22-4)13(16)7-6-12(18)11(16)10-14(19)21-3/h11,13H,5-10H2,1-4H3/t11-,13+,16+,17+/m0/s1
InChIKey PFGNKHWISJVOOT-OUENDJJVSA-N
Molecular Weight 310.390 g/mol
SMILES [C@@]12([C@]([C@@](C(=O)OC)(C)CCC2)(CCC([C@@]1(CC(=O)OC)[H])=O)[H])C
SPLASH splash10-00di-0960000000-5d01ed465ef7525a1366
Source of Spectrum B-42-506-26
Wiley ID 1311511