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2,7-Nonadienoic acid, 4,6-dimethoxy-2,8-dimethyl-5-(phenylmethoxy)-, dimethyl ester, [S-[R*,R*-(E,E)]]-
SpectraBase Compound ID 9UwNhsupGNq
InChI InChI=1S/C22H30O7/c1-15(21(23)27-5)12-18(25-3)20(29-14-17-10-8-7-9-11-17)19(26-4)13-16(2)22(24)28-6/h7-13,18-20H,14H2,1-6H3/b15-12+,16-13+/t18-,19-/m0/s1
InChIKey QHVAZURPIICGBE-CQAZJPLUSA-N
Mol Weight 406.48 g/mol
Molecular Formula C22H30O7
Exact Mass 406.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HEwoXCHXc5Q
Name 2,7-Nonadienoic acid, 4,6-dimethoxy-2,8-dimethyl-5-(phenylmethoxy)-, dimethyl ester, [S-[R*,R*-(E,E)]]-
CAS Registry Number 118317-85-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O7
InChI InChI=1S/C22H30O7/c1-15(21(23)27-5)12-18(25-3)20(29-14-17-10-8-7-9-11-17)19(26-4)13-16(2)22(24)28-6/h7-13,18-20H,14H2,1-6H3/b15-12+,16-13+/t18-,19-/m0/s1
InChIKey QHVAZURPIICGBE-CQAZJPLUSA-N
Molecular Weight 406.475 g/mol
SMILES C(\C(=C\[C@@](C([C@](\C=C\(C(=O)OC)C)(OC)[H])OCc1ccccc1)(OC)[H])C)(=O)OC
SPLASH splash10-0006-2900000000-0ae0441e9d80174bf3a0
Source of Spectrum J-55-2781-20
Synonyms Dimethyl (2E,4S,6S,7E)-5-(benzyloxy)-4,6-dimethoxy-2,8-dimethyl-2,7-nonadienedioate [S[R*,R*-(E,E)]]-4,6-dimethoxy-2,8-dimethyl-5-(phenylmethoxy)-2,7-nonadienedioic acid dimethyl ester
Wiley ID 1372156