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Stigmastane-3,6-dione

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Stigmastane-3,6-dione
SpectraBase Compound ID CTGrwKL7lkM
InChI InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-20,22-26H,7-17H2,1-6H3/t19-,20-,22-,23+,24-,25-,26?,28+,29+/m0/s1
InChIKey HMMVBUVVQLUGQA-QHCYOHHTSA-N
Mol Weight 428.7 g/mol
Molecular Formula C29H48O2
Exact Mass 428.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRwLNCNAaWG
Name STIGMASTANE-3,6-DIONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H48O2
InChI InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-20,22-26H,7-17H2,1-6H3/t19-,20-,22-,23+,24-,25-,26?,28+,29+/m0/s1
InChIKey HMMVBUVVQLUGQA-QHCYOHHTSA-N
Literature Reference Author J.C.LIM,J.H.PARK,M.BUDESINSKY,A.KASAL,Y.H.HAN,B.S.KOO,S.I.LE E,D.U.LEE
Literature Reference Citation CHEM.PHARM.BULL.,53,561(2005)
Literature Reference DOI 10.1248/cpb.53.561
Molecular Weight 428.699 g/mol
Sample ID 53985
Solvent CDCl3