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2-[(3R,4R)-3-acetoxy-6-keto-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexen-1-yl]acetic acid
SpectraBase Compound ID Lq21sehU74S
InChI InChI=1S/C30H44O5/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-24(5)16-17-26-18-28(32)27(20-30(33)34)19-29(26)35-25(6)31/h10,12,14,16,19,26,29H,7-9,11,13,15,17-18,20H2,1-6H3,(H,33,34)/b22-12+,23-14+,24-16+/t26-,29+/m1/s1
InChIKey YOAXIRYRFJKBSJ-GDEKDLSNSA-N
Mol Weight 484.7 g/mol
Molecular Formula C30H44O5
Exact Mass 484.318875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uwUIHNiz2Z
Name 2-[(3R,4R)-3-acetoxy-6-keto-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexen-1-yl]acetic acid
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Formula C30H44O5
InChI InChI=1S/C30H44O5/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-24(5)16-17-26-18-28(32)27(20-30(33)34)19-29(26)35-25(6)31/h10,12,14,16,19,26,29H,7-9,11,13,15,17-18,20H2,1-6H3,(H,33,34)/b22-12+,23-14+,24-16+/t26-,29+/m1/s1
InChIKey YOAXIRYRFJKBSJ-GDEKDLSNSA-N
Molecular Weight 484.677 g/mol
SMILES OC(CC1=C[C@](OC(=O)C)([C@@](CC1=O)(C\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)[H])[H])=O
SPLASH splash10-015i-9500100000-dcccd10e0cc6516fde9f
Source of Spectrum F-49-9283-2
Synonyms 2-[(3R,4R)-3-acetoxy-6-oxo-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexen-1-yl]acetic acid 2-[(3R,4R)-3-acetyloxy-6-oxidanylidene-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexen-1-yl]ethanoic acid 2-[(3R,4R)-3-acetyloxy-6-oxo-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]-1-cyclohexenyl]acetic acid 2-[(3R,4R)-3-acetyloxy-6-oxo-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexen-1-yl]acetic acid
Wiley ID 788426