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5-ALPHA-TOMATIDAN-3-ONE

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5-ALPHA-TOMATIDAN-3-ONE
SpectraBase Compound ID 8suo45wYSrn
InChI InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24,28H,5-15H2,1-4H3/t16-,17-,18-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
InChIKey VCYNHQOAZQMPOJ-TZNORDHQSA-N
Mol Weight 413.6 g/mol
Molecular Formula C27H43NO2
Exact Mass 413.32938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KPtd38Ch8Oy
Name 5-ALPHA-TOMATIDAN-3-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H43NO2
InChI InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24,28H,5-15H2,1-4H3/t16-,17-,18-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
InChIKey VCYNHQOAZQMPOJ-TZNORDHQSA-N
Literature Reference Author N.P.VAZ,.V.COSTA,E.L.SANTOS,S.B.MIKICH,F.A.MARQUES,R.M.BRAGA ,C.DELARMELINA
Literature Reference Citation J.BRAZ.CHEM.SOC.,23,361(2012)
Literature Reference DOI 10.1590/s0103-50532012000200025
Molecular Weight 413.644 g/mol
Source File Reference UWBT5416