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(4R,SS)-(N-tert-Butylsulfinyl)-5-[2,3,6,7-tetramethoxyphenanthren-9-yl]-pent-1-ol-4-amine
SpectraBase Compound ID FqTL6lyDzyH
InChI InChI=1S/C27H37NO6S/c1-27(2,3)35(30)28-19(9-8-10-29)12-17-11-18-13-23(31-4)24(32-5)15-21(18)22-16-26(34-7)25(33-6)14-20(17)22/h11,13-16,19,28-29H,8-10,12H2,1-7H3/t19-,35?/m1/s1
InChIKey PVIJGMOZSQUKKD-IMUJXVLNSA-N
Mol Weight 503.7 g/mol
Molecular Formula C27H37NO6S
Exact Mass 503.234159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXJI7JcvfBv
Name (4R,SS)-(N-tert-Butylsulfinyl)-5-[2,3,6,7-tetramethoxyphenanthren-9-yl]-pent-1-ol-4-amine
Alternate Name(s) (S)-N-((R)-5-hydroxy-1-(2,3,6,7-tetramethoxyphenanthren-9-yl)pentan-2-yl)-2-methylpropane-2-sulfinamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H37NO6S
InChI InChI=1S/C27H37NO6S/c1-27(2,3)35(30)28-19(9-8-10-29)12-17-11-18-13-23(31-4)24(32-5)15-21(18)22-16-26(34-7)25(33-6)14-20(17)22/h11,13-16,19,28-29H,8-10,12H2,1-7H3/t19-,35?/m1/s1
InChIKey PVIJGMOZSQUKKD-IMUJXVLNSA-N
Literature Reference DOI 10.1039/c4ob01133c
Molecular Weight 503.654 g/mol
SMILES OCCC[C@@](N[S@](C(C)(C)C)=O)(Cc1cc2c(cc(OC)c(OC)c2)c2c1cc(OC)c(OC)c2)[H]
SPLASH splash10-03di-5209010000-8e82f197006fa12caf01
Source of Spectrum F5-12-7024-13
Wiley ID 1748262