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(4bS,8S)-4b,8-Dimethyl-3-oxo-3,4b,5,6,7,8,8a,9-octahydro-1H-2-oxa-phenanthrene-8-carboxylic acid
SpectraBase Compound ID L3x80V2TOjT
InChI InChI=1S/C16H20O4/c1-15-6-3-7-16(2,14(18)19)12(15)5-4-10-9-20-13(17)8-11(10)15/h4,8,12H,3,5-7,9H2,1-2H3,(H,18,19)/t12?,15-,16+/m1/s1
InChIKey FIZSONPJJYYMRC-AGIABQAESA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EiboNDFla5d
Name (4bS,8S)-4b,8-Dimethyl-3-oxo-3,4b,5,6,7,8,8a,9-octahydro-1H-2-oxa-phenanthrene-8-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-15-6-3-7-16(2,14(18)19)12(15)5-4-10-9-20-13(17)8-11(10)15/h4,8,12H,3,5-7,9H2,1-2H3,(H,18,19)/t12?,15-,16+/m1/s1
InChIKey FIZSONPJJYYMRC-AGIABQAESA-N
Molecular Weight 276.332 g/mol
SMILES OC([C@@]1(C2[C@@](C=3C(=CC2)COC(C3)=O)(CCC1)C)C)=O
SPLASH splash10-0g1l-2890000000-e4ad8a60a94312fa8f19
Source of Spectrum F-55-7300-16
Synonyms (7S,10aS)-7,10a-dimethyl-2-oxo-4,6,6a,7,8,9,10,10a-octahydro-2H-naphtho[2,1-c]pyran-7-carboxylic acid 1,11-Dimethyl-5-oxa-4-oxotricyclo[8.4.0.0(2,7)]tetradeca-2,7-dien-11-carboxylic acid
Wiley ID 838287