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1.alpha.-(hydroxymethyl)-7.alpha.,8.alpha.-dimethyl-7-(2-(3-furyl)ethyl)bicyclo[4.4.0]dec-2-ene-2-carboxylic acid methyl ester
SpectraBase Compound ID 4FIfj6SfOA5
InChI InChI=1S/C21H30O4/c1-15-7-11-21(14-22)17(19(23)24-3)5-4-6-18(21)20(15,2)10-8-16-9-12-25-13-16/h5,9,12-13,15,18,22H,4,6-8,10-11,14H2,1-3H3/t15-,18?,20+,21-/m1/s1
InChIKey ACTLTPVNNKNAFE-WMKRRTRCSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQ3Q9uKmE32
Name 1.alpha.-(hydroxymethyl)-7.alpha.,8.alpha.-dimethyl-7-(2-(3-furyl)ethyl)bicyclo[4.4.0]dec-2-ene-2-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-15-7-11-21(14-22)17(19(23)24-3)5-4-6-18(21)20(15,2)10-8-16-9-12-25-13-16/h5,9,12-13,15,18,22H,4,6-8,10-11,14H2,1-3H3/t15-,18?,20+,21-/m1/s1
InChIKey ACTLTPVNNKNAFE-WMKRRTRCSA-N
Molecular Weight 346.467 g/mol
SMILES OC[C@@]12C(C(=O)OC)=CCCC2[C@](CCc2cocc2)(C)[C@@](CC1)(C)[H]
SPLASH splash10-053u-9210000000-0e48bdb1fa917f3832c6
Source of Spectrum EP-2890-0-0
Synonyms Methyl (5S,6R,8aS)-5-[2-(3-furyl)ethyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylate
Wiley ID 1339474