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(3E,7E)-2-[(E)-4-acetoxy-2-methyl-but-2-enyl]-2-besyl-4,8,12-trimethyl-trideca-3,7,11-trienoic acid methyl ester
SpectraBase Compound ID 5kCDXgBlSvK
InChI InChI=1S/C30H42O6S/c1-23(2)13-11-14-24(3)15-12-16-25(4)21-30(29(32)35-7,22-26(5)19-20-36-27(6)31)37(33,34)28-17-9-8-10-18-28/h8-10,13,15,17-19,21H,11-12,14,16,20,22H2,1-7H3/b24-15+,25-21+,26-19+
InChIKey MGRPKMAKNJMPSS-DWONXFQBSA-N
Mol Weight 530.7 g/mol
Molecular Formula C30H42O6S
Exact Mass 530.27021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeXZHKA1Aex
Name (3E,7E)-2-[(E)-4-acetoxy-2-methyl-but-2-enyl]-2-besyl-4,8,12-trimethyl-trideca-3,7,11-trienoic acid methyl ester
Alternate Name(s) (3E,7E)-2-[(E)-4-acetyloxy-2-methylbut-2-enyl]-2-(benzenesulfonyl)-4,8,12-trimethyltrideca-3,7,11-trienoic acid methyl ester Methyl (3E,7E)-2-[(E)-4-acetoxy-2-methyl-but-2-enyl]-2-(benzenesulfonyl)-4,8,12-trimethyl-trideca-3,7,11-trienoate Methyl (3E,7E)-2-[(E)-4-acetyloxy-2-methyl-but-2-enyl]-4,8,12-trimethyl-2-(phenylsulfonyl)trideca-3,7,11-trienoate Methyl (3E,7E)-2-[(E)-4-acetyloxy-2-methylbut-2-enyl]-2-(benzenesulfonyl)-4,8,12-trimethyltrideca-3,7,11-trienoate
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Formula C30H42O6S
InChI InChI=1S/C30H42O6S/c1-23(2)13-11-14-24(3)15-12-16-25(4)21-30(29(32)35-7,22-26(5)19-20-36-27(6)31)37(33,34)28-17-9-8-10-18-28/h8-10,13,15,17-19,21H,11-12,14,16,20,22H2,1-7H3/b24-15+,25-21+,26-19+
InChIKey MGRPKMAKNJMPSS-DWONXFQBSA-N
Molecular Weight 530.720 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(\C=C\(CC\C=C\(CCC=C(C)C)C)C)(C(=O)OC)C\C(=C\COC(=O)C)C
SPLASH splash10-014r-9225000000-b63ba6d8c3cced690eac
Source of Spectrum SO-0-204-10
Wiley ID 874216