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3-BETA,5-ALPHA,6-BETA-TRIHYDROXY-9,11-SECO-CHOLEST-7-EN-9-ONE

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3-BETA,5-ALPHA,6-BETA-TRIHYDROXY-9,11-SECO-CHOLEST-7-EN-9-ONE
SpectraBase Compound ID DUSMKL6JonI
InChI InChI=1S/C27H46O5/c1-17(2)7-6-8-18(3)21-9-10-22(25(21,4)13-14-28)20-15-23(30)27(32)16-19(29)11-12-26(27,5)24(20)31/h15,17-19,21-23,28-30,32H,6-14,16H2,1-5H3/t18-,19+,21-,22+,23+,25-,26-,27+/m1/s1
InChIKey XTNDAJHNHQCFRB-AUZHTAODSA-N
Mol Weight 450.7 g/mol
Molecular Formula C27H46O5
Exact Mass 450.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 39oENW4g9M3
Name 3-BETA,5-ALPHA,6-BETA-TRIHYDROXY-9,11-SECO-CHOLEST-7-EN-9-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H46O5
InChI InChI=1S/C27H46O5/c1-17(2)7-6-8-18(3)21-9-10-22(25(21,4)13-14-28)20-15-23(30)27(32)16-19(29)11-12-26(27,5)24(20)31/h15,17-19,21-23,28-30,32H,6-14,16H2,1-5H3/t18-,19+,21-,22+,23+,25-,26-,27+/m1/s1
InChIKey XTNDAJHNHQCFRB-AUZHTAODSA-N
Literature Reference Author A.AIELLO,E.FATTORUSSO,M.MENNA,R.CARNUCCIO,T.IUVONE
Literature Reference Citation STEROIDS,60,666(1995)
Literature Reference DOI 10.1016/0039-128x(95)00055-u
Molecular Weight 450.659 g/mol
Source File Reference UWLU73855