For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

METHYL-2-[3'-AMINO-5'-[13''-(13''',17'''-BETA-DIHYDROXY-ESTRA-1''',3''',5'''(10''')-TRIEN-16'''-BETA-YL)-TRIDECYL]-PHENYL]-ACETATE

Compound with spectra: 1 NMR

METHYL-2-[3'-AMINO-5'-[13''-(13''',17'''-BETA-DIHYDROXY-ESTRA-1''',3''',5'''(10''')-TRIEN-16'''-BETA-YL)-TRIDECYL]-PHENYL]-ACETATE
SpectraBase Compound ID GBMEPCb8NSg
InChI InChI=1S/C40H59NO4/c1-40-21-20-35-34-19-17-33(42)26-30(34)16-18-36(35)37(40)27-31(39(40)44)15-13-11-9-7-5-3-4-6-8-10-12-14-28-22-29(24-32(41)23-28)25-38(43)45-2/h17,19,22-24,26,31,35-37,39,42,44H,3-16,18,20-21,25,27,41H2,1-2H3/t31-,35?,36?,37?,39-,40-/m0/s1
InChIKey ACYLXNHQYAYPIZ-QMCUZARVSA-N
Mol Weight 617.9 g/mol
Molecular Formula C40H59NO4
Exact Mass 617.444409 g/mol
Enantiomer InChIKey ACYLXNHQYAYPIZ-UTHOFUEISA-N

View Spectrum of METHYL-2-[3'-AMINO-5'-[13''-(13''',17'''-BETA-DIHYDROXY-ESTRA-1''',3''',5'''(10''')-TRIEN-16'''-BETA-YL)-TRIDECYL]-PHENYL]-ACETATE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE-D6
7-[17'-.beta.-Hydroxy-3'-methoxy-1',3',5'(10')-estratrien-16-.alpha.-yl]-1-[(tetrahydro-2"H-pyran-2"-yl)oxy]heptane
7-[17'-.beta.-Hydroxy-3'-methoxy-1',3',5'(10')-estratrien-16-.beta.-yl]-1-[(tetrahydro-2"H-pyran-2"-yl)oxy]heptane
(13S,16S,17S)-16-(2-bromoethyl)-3-(tert-butyldimethylsilyloxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol
Estra-1,3,5(10)-trien-17-ol, 3-(phenylmethoxy)-16-(2-propenyl)-, (16.alpha.,17.beta.)-
16.beta.-(Acetoxymethyl)-3-methoxy-13.alpha.-estra-1,3,5(10)-trien-17.alpha.-ol
16.alpha.-(Acetoxymethyl)-3-methoxy-13.alpha.-estra-1,3,5(10)-trien-17.beta.-ol
16.alpha.-(3-cyano-2-propenyl)-3-(benzyloxy)estra-1,3,5(10)trien-17.beta.-ol
16a-Isothiocyanato-3-methoxy-17b-hydroxy-1,3,5(10)-estratriene
16-ALPHA-AZIDO-3-METHOXYESTRA-1,3,5(10)-TRIENE-17-ALPHA-OL
16a-Selenothiocyanato-3-methoxy-17b-hydroxy-1,3,5(10)-estratriene
Title Journal or Book Year
Synthesis of Simplified Hybrid Inhibitors of Type 1 17β-Hydroxysteroid Dehydrogenase via Cross-Metathesis and Sonogashira Coupling Reactions Organic Letters 2004
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.