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1,3,5(10)-Estratrien-3,17α-diol diacetate

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1,3,5(10)-Estratrien-3,17α-diol diacetate
SpectraBase Compound ID JMmDzUNcMGM
InChI InChI=1S/C22H28O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3/t18-,19-,20+,21-,22+/m1/s1
InChIKey VQHQLBARMFAKSV-BDHVOXNPSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97UDZylbvP4
Name ESTRA-1,3,5(10)-TRIEN-3,17-ALPHA-DIOL-DIACETAT
Compound Number 366
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3/t18-,19-,20+,21-,22+/m1/s1
InChIKey VQHQLBARMFAKSV-BDHVOXNPSA-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 356.462 g/mol
Solvent DIOXANE
Source File Reference UNIW92