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17A-[N-BENZYL-N-[3-BENZYLOXY-(2-R)-2-HYDROXYPROPYL]-AMINOMETHYL]-ANDROSTA-5,7-DIEN-3B,17B-DIOL
SpectraBase Compound ID 65gR2qVngf9
InChI InChI=1S/C37H49NO4/c1-35-18-15-30(39)21-29(35)13-14-32-33(35)16-19-36(2)34(32)17-20-37(36,41)26-38(22-27-9-5-3-6-10-27)23-31(40)25-42-24-28-11-7-4-8-12-28/h3-14,30-31,33-34,39-41H,15-26H2,1-2H3/t30-,31+,33-,34-,35-,36-,37+/m0/s1
InChIKey HGNYMFRPNIQPFL-MXPPNQFXSA-N
Mol Weight 571.8 g/mol
Molecular Formula C37H49NO4
Exact Mass 571.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J4RI3v9GKSc
Name 17A-[N-BENZYL-N-[3-BENZYLOXY-(2-R)-2-HYDROXYPROPYL]-AMINOMETHYL]-ANDROSTA-5,7-DIEN-3B,17B-DIOL
Compound Number 1 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H49NO4
InChI InChI=1S/C37H49NO4/c1-35-18-15-30(39)21-29(35)13-14-32-33(35)16-19-36(2)34(32)17-20-37(36,41)26-38(22-27-9-5-3-6-10-27)23-31(40)25-42-24-28-11-7-4-8-12-28/h3-14,30-31,33-34,39-41H,15-26H2,1-2H3/t30-,31+,33-,34-,35-,36-,37+/m0/s1
InChIKey HGNYMFRPNIQPFL-MXPPNQFXSA-N
Literature Reference Author N.KUMAR,M.KIUCHI,J.A.TALLARICO,S.L.SCHREIBER
Literature Reference Citation ORG.LETTERS,7,2535(2005)
Literature Reference DOI 10.1021/ol0504345
Molecular Weight 571.800 g/mol
Sample ID 42959
Solvent CDCl3