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STIGMAST-24(25)-EN-3-ONE
SpectraBase Compound ID 2ftNk8tRc9E
InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h20,22,24-27H,7-18H2,1-6H3/t20-,22+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey CSGZKWBCANTJPS-LIFKPSPXSA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CcTfoeovfj1
Name STIGMAST-24(25)-EN-3-ONE
Compound Number (+)-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h20,22,24-27H,7-18H2,1-6H3/t20-,22+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey CSGZKWBCANTJPS-LIFKPSPXSA-N
Literature Reference Author A.GUERRIERO,C.DEBITUS,F.PIETRA
Literature Reference Citation HELV.CHIM.ACTA,74,487(1991)
Literature Reference DOI 10.1002/hlca.19910740304
Molecular Weight 412.700 g/mol
Solvent C6D6
Source File Reference UWVP5406