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(5R,6R,10Z,14E)-16-(5-methoxy-3-methyl-2-oxidanyl-phenyl)-2,6,10,14-tetramethyl-5-oxidanyl-hexadeca-2,10,14-triene-4,12-dione

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(5R,6R,10Z,14E)-16-(5-methoxy-3-methyl-2-oxidanyl-phenyl)-2,6,10,14-tetramethyl-5-oxidanyl-hexadeca-2,10,14-triene-4,12-dione
SpectraBase Compound ID CBhrJ9gv4GJ
InChI InChI=1S/C28H40O5/c1-18(2)13-26(30)28(32)21(5)10-8-9-19(3)14-24(29)15-20(4)11-12-23-17-25(33-7)16-22(6)27(23)31/h11,13-14,16-17,21,28,31-32H,8-10,12,15H2,1-7H3/b19-14-,20-11+/t21-,28-/m1/s1
InChIKey HTVAGPUQOOAAEN-JFOXMQJGSA-N
Mol Weight 456.6 g/mol
Molecular Formula C28H40O5
Exact Mass 456.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqSzdrABaMF
Name (5R,6R,10Z,14E)-16-(5-methoxy-3-methyl-2-oxidanyl-phenyl)-2,6,10,14-tetramethyl-5-oxidanyl-hexadeca-2,10,14-triene-4,12-dione
CAS Registry Number 80756-06-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40O5
InChI InChI=1S/C28H40O5/c1-18(2)13-26(30)28(32)21(5)10-8-9-19(3)14-24(29)15-20(4)11-12-23-17-25(33-7)16-22(6)27(23)31/h11,13-14,16-17,21,28,31-32H,8-10,12,15H2,1-7H3/b19-14-,20-11+/t21-,28-/m1/s1
InChIKey HTVAGPUQOOAAEN-JFOXMQJGSA-N
Molecular Weight 456.623 g/mol
SMILES Oc1c(C\C=C\(CC(\C=C/(CCC[C@]([C@](C(C=C(C)C)=O)(O)[H])(C)[H])C)=O)C)cc(cc1C)OC
SPLASH splash10-053u-9300100000-be32b9bc0650638f140c
Source of Spectrum F-37-3212-0
Synonyms (5R,6R,10Z,14E)-5-hydroxy-16-(2-hydroxy-5-methoxy-3-methyl-phenyl)-2,6,10,14-tetramethyl-hexadeca-2,10,14-triene-4,12-dione
Wiley ID 1389400