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2-[3-[(1R)-4-carbomethoxyoxy-1-hydroxy-2,6,6-trimethyl-cyclohexa-2,4-dien-1-yl]-1-methyl-propyl]malonic acid dimethyl ester
SpectraBase Compound ID Der9pyQQiCW
InChI InChI=1S/C20H30O8/c1-12(15(16(21)25-5)17(22)26-6)8-9-20(24)13(2)10-14(11-19(20,3)4)28-18(23)27-7/h10-12,15,24H,8-9H2,1-7H3/t12?,20-/m1/s1
InChIKey NRWOHPJREZNZAM-VLFLDKFOSA-N
Mol Weight 398.45 g/mol
Molecular Formula C20H30O8
Exact Mass 398.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Rlq2voOUS
Name 2-[3-[(1R)-4-carbomethoxyoxy-1-hydroxy-2,6,6-trimethyl-cyclohexa-2,4-dien-1-yl]-1-methyl-propyl]malonic acid dimethyl ester
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Formula C20H30O8
InChI InChI=1S/C20H30O8/c1-12(15(16(21)25-5)17(22)26-6)8-9-20(24)13(2)10-14(11-19(20,3)4)28-18(23)27-7/h10-12,15,24H,8-9H2,1-7H3/t12?,20-/m1/s1
InChIKey NRWOHPJREZNZAM-VLFLDKFOSA-N
Molecular Weight 398.452 g/mol
SMILES O[C@@]1(C(=CC(=CC1(C)C)OC(=O)OC)C)CCC(C(C(=O)OC)C(=O)OC)C
SPLASH splash10-0apu-9401000000-c69fa29a469512ddd885
Source of Spectrum KC-0-3064-13
Synonyms 2-[4-[(1R)-1-hydroxy-4-methoxycarbonyloxy-2,6,6-trimethyl-1-cyclohexa-2,4-dienyl]butan-2-yl]propanedioic acid dimethyl ester Dimethyl 2-[3-[(1R)-1-hydroxy-4-methoxycarbonyloxy-2,6,6-trimethyl-cyclohexa-2,4-dien-1-yl]-1-methyl-propyl]propanedioate Dimethyl 2-[4-[(1R)-1-hydroxy-4-methoxycarbonyloxy-2,6,6-trimethylcyclohexa-2,4-dien-1-yl]butan-2-yl]propanedioate Dimethyl 2-[4-[(1R)-4-methoxycarbonyloxy-2,6,6-trimethyl-1-oxidanyl-cyclohexa-2,4-dien-1-yl]butan-2-yl]propanedioate
Wiley ID 780383