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3-BETA-ACETOXY-5,6-DIOXO-5,6-SECO-CHOLESTANE
SpectraBase Compound ID 3vt5b2CYJpa
InChI InChI=1S/C29H48O4/c1-19(2)8-7-9-20(3)24-10-11-25-23(14-17-30)26(13-16-28(24,25)5)29(6)15-12-22(18-27(29)32)33-21(4)31/h17,19-20,22-26H,7-16,18H2,1-6H3/t20-,22+,23+,24-,25+,26+,28-,29-/m1/s1
InChIKey LZXBZYADXMLXDF-WPAZHYIDSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KpDnGCnnoEW
Name 3-BETA-ACETOXY-5,6-DIOXO-5,6-SECO-CHOLESTANE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-19(2)8-7-9-20(3)24-10-11-25-23(14-17-30)26(13-16-28(24,25)5)29(6)15-12-22(18-27(29)32)33-21(4)31/h17,19-20,22-26H,7-16,18H2,1-6H3/t20-,22+,23+,24-,25+,26+,28-,29-/m1/s1
InChIKey LZXBZYADXMLXDF-WPAZHYIDSA-N
Literature Reference Author C.GAN,L.FAN,J.CUI,Y.HUANG,Y.JIAO,W.WEI
Literature Reference Citation STEROIDS,77,1061(2012)
Literature Reference DOI 10.1016/j.steroids.2012.05.005
Molecular Weight 460.698 g/mol
Sample ID 70661
Solvent CDCl3