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1-naphthalenepentanoic acid, 3,4,4a,5,6,7,8,8a-octahydro-.beta.3-dihydroxy-.beta.,2,5,5,8a-pentamethyl-, methyl ester, [3S-[1-(R*),3.alpha.,4a.beta.,8a.alpha.]-
SpectraBase Compound ID 1kQn3brmAAU
InChI InChI=1S/C21H36O4/c1-14-15(8-11-20(4,24)13-18(23)25-6)21(5)10-7-9-19(2,3)17(21)12-16(14)22/h16-17,22,24H,7-13H2,1-6H3
InChIKey XYFGKSKXQROPGD-UHFFFAOYSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HduXVlAvh8G
Name 1-naphthalenepentanoic acid, 3,4,4a,5,6,7,8,8a-octahydro-.beta.3-dihydroxy-.beta.,2,5,5,8a-pentamethyl-, methyl ester, [3S-[1-(R*),3.alpha.,4a.beta.,8a.alpha.]-
CAS Registry Number 102505-49-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-14-15(8-11-20(4,24)13-18(23)25-6)21(5)10-7-9-19(2,3)17(21)12-16(14)22/h16-17,22,24H,7-13H2,1-6H3
InChIKey XYFGKSKXQROPGD-UHFFFAOYSA-N
Molecular Weight 352.515 g/mol
SMILES OC1CC2C(C(CCC(CC(=O)OC)(O)C)=C1C)(CCCC2(C)C)C
SPLASH splash10-1003-3859000000-7eb34c33703ea1046bab
Source of Spectrum J-51-2826-5
Synonyms Methyl 3-hydroxy-5-(3-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)-3-methylpentanoate
Wiley ID 1343519