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3-THIOXO-16-ALPHA,17-ALPHA-EPOXY-PROGESTERONE

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3-THIOXO-16-ALPHA,17-ALPHA-EPOXY-PROGESTERONE
SpectraBase Compound ID LPgW455bjRm
InChI InChI=1S/C21H28O2S/c1-12(22)21-18(23-21)11-17-15-5-4-13-10-14(24)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1
InChIKey NKECBELGEPCJKJ-SRWWVFQWSA-N
Mol Weight 344.51 g/mol
Molecular Formula C21H28O2S
Exact Mass 344.181001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7bO2f7S1aEC
Name 3-THIOXO-16-ALPHA,17-ALPHA-EPOXY-PROGESTERONE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O2S
InChI InChI=1S/C21H28O2S/c1-12(22)21-18(23-21)11-17-15-5-4-13-10-14(24)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1
InChIKey NKECBELGEPCJKJ-SRWWVFQWSA-N
Literature Reference Author N.M.KRSTIC,M.S.BJELAKOVIC,M.M.DABOVIC,V.D.PAVLOVIC
Literature Reference Citation MOLECULES,15,3462(2010)
Literature Reference DOI 10.3390/molecules15053462
Molecular Weight 344.512 g/mol
Sample ID 70916
Solvent C6D6