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1-METHYLESTRA-1,3,5(10)-TRIEN-17-BETA-YL-ACETAT
SpectraBase Compound ID Lh6PhebR86k
InChI InChI=1S/C21H28O2/c1-13-5-4-6-15-7-8-16-17(20(13)15)11-12-21(3)18(16)9-10-19(21)23-14(2)22/h4-6,16-19H,7-12H2,1-3H3/t16-,17+,18+,19+,21+/m1/s1
InChIKey BEWQKIRBIUCKNB-PWIGDYEPSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FOwjHZdmVfQ
Name 1-METHYLESTRA-1,3,5(10)-TRIEN-17-BETA-YL-ACETAT
Compound Number 406
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-13-5-4-6-15-7-8-16-17(20(13)15)11-12-21(3)18(16)9-10-19(21)23-14(2)22/h4-6,16-19H,7-12H2,1-3H3/t16-,17+,18+,19+,21+/m1/s1
InChIKey BEWQKIRBIUCKNB-PWIGDYEPSA-N
Literature Reference Author J.W.BLUNT,J.B.STOTHERS
Literature Reference Citation ORG.MAGN.RES.,9,439(1977)
Literature Reference DOI 10.1002/mrc.1270090802
Molecular Weight 312.452 g/mol
Solvent CDCl3
Source File Reference UNIW68