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3-BETA-ACETOXY-5,6-DIOXO-5,6-SECO-SITOSTANE
SpectraBase Compound ID 6HlB2RBg7mc
InChI InChI=1S/C31H52O4/c1-8-23(20(2)3)10-9-21(4)26-11-12-27-25(15-18-32)28(14-17-30(26,27)6)31(7)16-13-24(19-29(31)34)35-22(5)33/h18,20-21,23-28H,8-17,19H2,1-7H3/t21-,23-,24+,25+,26-,27+,28+,30-,31-/m1/s1
InChIKey FYYMEJPQKHJBCR-MJGUWCKASA-N
Mol Weight 488.8 g/mol
Molecular Formula C31H52O4
Exact Mass 488.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LbnaMmxOvpc
Name 3-BETA-ACETOXY-5,6-DIOXO-5,6-SECO-SITOSTANE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-8-23(20(2)3)10-9-21(4)26-11-12-27-25(15-18-32)28(14-17-30(26,27)6)31(7)16-13-24(19-29(31)34)35-22(5)33/h18,20-21,23-28H,8-17,19H2,1-7H3/t21-,23-,24+,25+,26-,27+,28+,30-,31-/m1/s1
InChIKey FYYMEJPQKHJBCR-MJGUWCKASA-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 488.751 g/mol
Sample ID 70670
Solvent CDCl3