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Dimethyl ester of (1S-(1.alpha.,2.beta.(S*),4a.beta.,8a.alpha.))-.alpha.2-acetyldecahydro-2,5,5,8a-tetramethyl-1,2-naphthalenediacetic acid
SpectraBase Compound ID GZIgSKZyyZZ
InChI InChI=1S/C22H36O5/c1-14(23)18(19(25)27-7)22(5)12-9-15-20(2,3)10-8-11-21(15,4)16(22)13-17(24)26-6/h15-16,18H,8-13H2,1-7H3/t15-,16+,18?,21-,22-/m1/s1
InChIKey ZFHXBVQVSINEBI-SZIZMPQUSA-N
Mol Weight 380.5 g/mol
Molecular Formula C22H36O5
Exact Mass 380.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EsAa7PTirr5
Name Dimethyl ester of (1S-(1.alpha.,2.beta.(S*),4a.beta.,8a.alpha.))-.alpha.2-acetyldecahydro-2,5,5,8a-tetramethyl-1,2-naphthalenediacetic acid
CAS Registry Number 72264-67-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O5
InChI InChI=1S/C22H36O5/c1-14(23)18(19(25)27-7)22(5)12-9-15-20(2,3)10-8-11-21(15,4)16(22)13-17(24)26-6/h15-16,18H,8-13H2,1-7H3/t15-,16+,18?,21-,22-/m1/s1
InChIKey ZFHXBVQVSINEBI-SZIZMPQUSA-N
Molecular Weight 380.525 g/mol
SMILES [C@]1([C@]([C@@]2(CCCC([C@]2(CC1)[H])(C)C)C)(CC(=O)OC)[H])(C(C(=O)OC)C(=O)C)C
SPLASH splash10-00dr-0920000000-b1101cf0f7642e8725ff
Source of Spectrum J-45-515-0
Synonyms Methyl 2-[(1S,2R,4aR,8aR)-1-(2-methoxy-2-oxoethyl)-2,5,5,8a-tetramethyldecahydro-2-naphthalenyl]-3-oxobutanoate
Wiley ID 1359832