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3-METHOXY-16-ALPHA-(HYDROXYMETHYL)-ESTRA-1,3,5(10)-TRIEN-17-BETA-YL-DIACETAT
SpectraBase Compound ID AME2lx5B1F0
InChI InChI=1S/C24H32O5/c1-14(25)28-13-17-12-22-21-7-5-16-11-18(27-4)6-8-19(16)20(21)9-10-24(22,3)23(17)29-15(2)26/h6,8,11,17,20-23H,5,7,9-10,12-13H2,1-4H3/t17-,20+,21+,22-,23-,24-/m0/s1
InChIKey UTXJMSGCLVYGFL-GSVDHGKISA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ARcpMq0hOu0
Name 3-METHOXY-16-ALPHA-(HYDROXYMETHYL)-ESTRA-1,3,5(10)-TRIEN-17-BETA-YL-DIACETAT
Compound Number 380
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-14(25)28-13-17-12-22-21-7-5-16-11-18(27-4)6-8-19(16)20(21)9-10-24(22,3)23(17)29-15(2)26/h6,8,11,17,20-23H,5,7,9-10,12-13H2,1-4H3/t17-,20+,21+,22-,23-,24-/m0/s1
InChIKey UTXJMSGCLVYGFL-GSVDHGKISA-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 400.515 g/mol
Solvent CDCl3
Source File Reference UNIW75