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Bicyclo[4.2.0]octane-7-propanoic acid, 5-hydroxy-8-(hydroxymethyl)-.beta.,4-dimethyl-8-(4-methylpentyl)-, methyl ester
SpectraBase Compound ID IhV4Zg08w0k
InChI InChI=1S/C21H38O4/c1-13(2)7-6-10-21(12-22)16-9-8-14(3)20(24)18(16)19(21)15(4)11-17(23)25-5/h13-16,18-20,22,24H,6-12H2,1-5H3
InChIKey IDLZLJLOOZTUQW-UHFFFAOYSA-N
Mol Weight 354.5 g/mol
Molecular Formula C21H38O4
Exact Mass 354.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qsKRcZERE8
Name Bicyclo[4.2.0]octane-7-propanoic acid, 5-hydroxy-8-(hydroxymethyl)-.beta.,4-dimethyl-8-(4-methylpentyl)-, methyl ester
CAS Registry Number 77912-04-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O4
InChI InChI=1S/C21H38O4/c1-13(2)7-6-10-21(12-22)16-9-8-14(3)20(24)18(16)19(21)15(4)11-17(23)25-5/h13-16,18-20,22,24H,6-12H2,1-5H3
InChIKey IDLZLJLOOZTUQW-UHFFFAOYSA-N
Molecular Weight 354.531 g/mol
SMILES OC1C(CCC2C1C(C2(CO)CCCC(C)C)C(CC(=O)OC)C)C
SPLASH splash10-014j-9956000000-69872e7aa028e26ccb3f
Source of Spectrum F-36-3259-0
Synonyms Methyl 3-[5-hydroxy-8-(hydroxymethyl)-4-methyl-8-(4-methylpentyl)bicyclo[4.2.0]oct-7-yl]butanoate Methyl ester of 12,18-dihydroxy-12,13-secodecipi-13-oic acid
Wiley ID 1344806