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2-Naphthaleneacetic acid, 1,2,3,4,4a,5,6,7-octahydro-.alpha.,4a,8-trimethyl-3,7-dioxo-, methyl ester, [2R-[2.alpha.(S*),4a.alpha.]]-
SpectraBase Compound ID HbMHRI4Nbmg
InChI InChI=1S/C16H22O4/c1-9(15(19)20-4)11-7-12-10(2)13(17)5-6-16(12,3)8-14(11)18/h9,11H,5-8H2,1-4H3/t9?,11-,16-/m1/s1
InChIKey XDKJHRWZUNICRQ-AQVDZBQESA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwMQR3EuUwi
Name 2-Naphthaleneacetic acid, 1,2,3,4,4a,5,6,7-octahydro-.alpha.,4a,8-trimethyl-3,7-dioxo-, methyl ester, [2R-[2.alpha.(S*),4a.alpha.]]-
CAS Registry Number 58964-76-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-9(15(19)20-4)11-7-12-10(2)13(17)5-6-16(12,3)8-14(11)18/h9,11H,5-8H2,1-4H3/t9?,11-,16-/m1/s1
InChIKey XDKJHRWZUNICRQ-AQVDZBQESA-N
Molecular Weight 278.348 g/mol
SMILES C=12[C@@](CC([C@](C2)(C(C(=O)OC)C)[H])=O)(CCC(C1C)=O)C
SPLASH splash10-0006-0890000000-a5147823365247d45860
Source of Spectrum F-43-2529-20
Synonyms Methyl (11S)-3,8-dioxo-7.alpha.H-eudesm-4-en-12-oate Methyl 2-[(2R,4aR)-4a,8-dimethyl-3,7-dioxo-1,2,3,4,4a,5,6,7-octahydro-2-naphthalenyl]propanoate
Wiley ID 1282058