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2-Naphthaleneacetic acid, 1,2,3,4,4a,5,6,7-octahydro-3-hydroxy-.alpha.,4a,8-trimethyl-7-oxo-, methyl ester, [2R-[2.alpha.(S*),3.beta.,4a.alpha.]]-
SpectraBase Compound ID 32lQ8pLjRAo
InChI InChI=1S/C16H24O4/c1-9(15(19)20-4)11-7-12-10(2)13(17)5-6-16(12,3)8-14(11)18/h9,11,14,18H,5-8H2,1-4H3/t9?,11-,14+,16-/m1/s1
InChIKey NGDXURWYQLRIFS-LPFYOJPQSA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G36hmmJGPC5
Name 2-Naphthaleneacetic acid, 1,2,3,4,4a,5,6,7-octahydro-3-hydroxy-.alpha.,4a,8-trimethyl-7-oxo-, methyl ester, [2R-[2.alpha.(S*),3.beta.,4a.alpha.]]-
CAS Registry Number 113034-61-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-9(15(19)20-4)11-7-12-10(2)13(17)5-6-16(12,3)8-14(11)18/h9,11,14,18H,5-8H2,1-4H3/t9?,11-,14+,16-/m1/s1
InChIKey NGDXURWYQLRIFS-LPFYOJPQSA-N
Molecular Weight 280.364 g/mol
SMILES O[C@@]1([C@](CC=2[C@@](C1)(CCC(C2C)=O)C)(C(C(=O)OC)C)[H])[H]
SPLASH splash10-0gyk-0690000000-62aee9c29b74549400d0
Source of Spectrum I-65-633-10
Synonyms Methyl (11S)-3-oxo-8.alpha.-hydroxy-7.alpha.H-eudesm-4-en-12-oate Methyl (11S)-3-oxo-8.beta.-hydroxy-7.alpha.H-eudesm-4-en-12-oate Methyl 2-[(2R,3S,4aR)-3-hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4,4a,5,6,7-octahydro-2-naphthalenyl]propanoate
Wiley ID 1283955