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(2RS,4RS,4BSR,10ASR)-4-(1'-BENZOYLOXYPROPYL)-7-METHOXY-2-METHYL-3,4,4A,9,10,10A-HEXAHYDROPHENANTHREN-1(2H)-ONE
SpectraBase Compound ID 9tuQPPIbDpr
InChI InChI=1S/C26H30O4/c1-4-23(30-26(28)17-8-6-5-7-9-17)22-14-16(2)25(27)21-12-10-18-15-19(29-3)11-13-20(18)24(21)22/h5-9,11,13,15-16,21-24H,4,10,12,14H2,1-3H3/t16-,21+,22+,23?,24+/m1/s1
InChIKey QGSTXRSZQUDQSW-NVHDYPKGSA-N
Mol Weight 406.52 g/mol
Molecular Formula C26H30O4
Exact Mass 406.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BV1zSFl8xaa
Name (2RS,4RS,4BSR,10ASR)-4-(1'-BENZOYLOXYPROPYL)-7-METHOXY-2-METHYL-3,4,4A,9,10,10A-HEXAHYDROPHENANTHREN-1(2H)-ONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H30O4
InChI InChI=1S/C26H30O4/c1-4-23(30-26(28)17-8-6-5-7-9-17)22-14-16(2)25(27)21-12-10-18-15-19(29-3)11-13-20(18)24(21)22/h5-9,11,13,15-16,21-24H,4,10,12,14H2,1-3H3/t16-,21+,22+,23?,24+/m1/s1
InChIKey QGSTXRSZQUDQSW-NVHDYPKGSA-N
Literature Reference Author K.A.FAIRWEATHER,L.N.MANDER
Literature Reference Citation ORG.LETTERS,8,3395(2006)
Literature Reference DOI 10.1021/ol061228f
Molecular Weight 406.522 g/mol
Sample ID 60508
Solvent CDCl3