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2-[5',13-bis(Benzenesulfonyl)-18'-hydroxy-5',13'-bis(methoxycarbonyl)-3',7',11',15',19'-pentamethylicosa-2',6',10',14,19'-pentaenyl]-1-[(methoxycarbonyl)oxy]-4-methoxybenzene
SpectraBase Compound ID ElHn1vpcyfQ
InChI InChI=1S/C50H62O13S2/c1-35(2)44(51)28-25-39(6)34-50(47(53)61-9,65(57,58)43-22-15-12-16-23-43)32-37(4)19-17-18-36(3)31-49(46(52)60-8,64(55,56)42-20-13-11-14-21-42)33-38(5)24-26-40-30-41(59-7)27-29-45(40)63-48(54)62-10/h11-16,19-24,27,29-31,34,44,51H,1,17-18,25-26,28,32-33H2,2-10H3/b36-31+,37-19+,38-24+,39-34+
InChIKey HLEQVZWLMOCTFR-FOBYSRCNSA-N
Mol Weight 935.2 g/mol
Molecular Formula C50H62O13S2
Exact Mass 934.363184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XhxGdzcJJk
Name 2-[5',13-bis(Benzenesulfonyl)-18'-hydroxy-5',13'-bis(methoxycarbonyl)-3',7',11',15',19'-pentamethylicosa-2',6',10',14,19'-pentaenyl]-1-[(methoxycarbonyl)oxy]-4-methoxybenzene
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Formula C50H62O13S2
InChI InChI=1S/C50H62O13S2/c1-35(2)44(51)28-25-39(6)34-50(47(53)61-9,65(57,58)43-22-15-12-16-23-43)32-37(4)19-17-18-36(3)31-49(46(52)60-8,64(55,56)42-20-13-11-14-21-42)33-38(5)24-26-40-30-41(59-7)27-29-45(40)63-48(54)62-10/h11-16,19-24,27,29-31,34,44,51H,1,17-18,25-26,28,32-33H2,2-10H3/b36-31+,37-19+,38-24+,39-34+
InChIKey HLEQVZWLMOCTFR-FOBYSRCNSA-N
Molecular Weight 935.153 g/mol
SMILES OC(C(=C)C)CC\C(=C\C(C\C(=C\CC\C(=C\C(S(=O)(=O)c1ccccc1)(C(=O)OC)C\C(=C\Cc1c(OC(=O)OC)ccc(c1)OC)C)C)C)(S(=O)(=O)c1ccccc1)C(=O)OC)C
SPLASH splash10-004l-9300000000-8579bc296f87d1127a7f
Source of Spectrum AC-134-78-5
Synonyms 1,11-dimethyl (3E,7E)-2,10-bis(benzenesulfonyl)-10-[(1E)-5-hydroxy-2,6-dimethylhepta-1,6-dien-1-yl]-2-[(2E)-4-{5-methoxy-2-[(methoxycarbonyl)oxy]phenyl}-2-methylbut-2-en-1-yl]-4,8-dimethylundeca-3,7-dienedioate
Wiley ID 812449