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3-BETA-ACETOXY-(17S)-MESYLOXY-17-METHYL-16,17-SECO-ANDROST-5-ENE-16-NITRILE
SpectraBase Compound ID 3MXahcHKYzo
InChI InChI=1S/C23H35NO5S/c1-15(29-30(5,26)27)22(3)12-9-20-19(21(22)10-13-24)7-6-17-14-18(28-16(2)25)8-11-23(17,20)4/h6,15,18-21H,7-12,14H2,1-5H3/t15-,18-,19+,20-,21-,22+,23-/m0/s1
InChIKey LUJLEZAGJCULCG-FBNLCNNBSA-N
Mol Weight 437.6 g/mol
Molecular Formula C23H35NO5S
Exact Mass 437.223594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91VBLyh9ktx
Name 3-BETA-ACETOXY-(17S)-MESYLOXY-17-METHYL-16,17-SECO-ANDROST-5-ENE-16-NITRILE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H35NO5S
InChI InChI=1S/C23H35NO5S/c1-15(29-30(5,26)27)22(3)12-9-20-19(21(22)10-13-24)7-6-17-14-18(28-16(2)25)8-11-23(17,20)4/h6,15,18-21H,7-12,14H2,1-5H3/t15-,18-,19+,20-,21-,22+,23-/m0/s1
InChIKey LUJLEZAGJCULCG-FBNLCNNBSA-N
Literature Reference Author A.M.OKLJESA,S.S.JOVANOVIC-SANTA,O.R.KLISURIC,M.N.SAKAC,E.A.D JURENDIC,D.S.JAKIMOV
Literature Reference Citation J.BRAZ.CHEM.SOC.,24,1613(2013)
Molecular Weight 437.595 g/mol
Source File Reference UWBT5239