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endiandric acid A methyl ester
SpectraBase Compound ID 2YTiawpRfnz
InChI InChI=1S/C22H24O2/c1-24-20(23)12-18-17-10-9-16-15(13-5-3-2-4-6-13)8-7-14-11-19(18)22(17)21(14)16/h2-10,14-19,21-22H,11-12H2,1H3/t14-,15+,16+,17-,18-,19+,21-,22-/m1/s1
InChIKey NFSUUSHZEPLFRY-ZYPKZSTESA-N
Mol Weight 320.43 g/mol
Molecular Formula C22H24O2
Exact Mass 320.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XQOzsqNQu
Name endiandric acid A methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O2
InChI InChI=1S/C22H24O2/c1-24-20(23)12-18-17-10-9-16-15(13-5-3-2-4-6-13)8-7-14-11-19(18)22(17)21(14)16/h2-10,14-19,21-22H,11-12H2,1H3/t14-,15+,16+,17-,18-,19+,21-,22-/m1/s1
InChIKey NFSUUSHZEPLFRY-ZYPKZSTESA-N
Molecular Weight 320.432 g/mol
SMILES [C@@]12([C@]3([C@@]4([C@](c5ccccc5)(C=C[C@]3([H])C[C@@]1([H])[C@@]([C@]2(C=C4)[H])(CC(=O)OC)[H])[H])[H])[H])[H]
SPLASH splash10-014l-3900000000-6c6abdfc8bcb323ae134
Source of Spectrum B-47-587-0
Synonyms ((1S,1aS,2aS,5R,5aR,7aR,7bS,7cS)-5-Phenyl-1a,2,2a,5,5a,7a,7b,7c-octahydro-1H-cyclobuta[bc]acenaphthylen-1-yl)-acetic acid methyl ester Methyl[(1S,5R,5aR,7aR,7bS,7cS)-5-phenyl-1a,2,2a,5,5a,7a,7b,7c-octahydro-1H-cyclobuta[bc]acenaphthylen-1-yl]acetate
Wiley ID 1320632