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ARAGUSTEROL_I;26,27-CYCLO-24,27-DIMETHYLCHOLESTAN-3-ALPHA,12-BETA,20-BETA-TRIOL
SpectraBase Compound ID gZIFDc8eKK
InChI InChI=1S/C29H50O3/c1-17(22-14-18(22)2)10-13-28(4,32)25-9-8-23-21-7-6-19-15-20(30)11-12-27(19,3)24(21)16-26(31)29(23,25)5/h17-26,30-32H,6-16H2,1-5H3/t17-,18+,19+,20-,21+,22+,23+,24+,25-,26-,27+,28?,29+/m1/s1
InChIKey NCYUMBBBJLNRMB-PILNKDJLSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dGJFSrIlDV
Name ARAGUSTEROL_I;26,27-CYCLO-24,27-DIMETHYLCHOLESTAN-3-ALPHA,12-BETA,20-BETA-TRIOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-17(22-14-18(22)2)10-13-28(4,32)25-9-8-23-21-7-6-19-15-20(30)11-12-27(19,3)24(21)16-26(31)29(23,25)5/h17-26,30-32H,6-16H2,1-5H3/t17-,18+,19+,20-,21+,22+,23+,24+,25-,26-,27+,28?,29+/m1/s1
InChIKey NCYUMBBBJLNRMB-PILNKDJLSA-N
Literature Reference Author X.C.NGUYEN,A.LONGEON,V.C.PHAM,F.URVOIS,C.BRESSY,T.T.VANTRINH ,H.N.NGUYEN,V.K.PHAN
Literature Reference Citation J.NAT.PROD.,76,1313(2013)
Literature Reference DOI 10.1021/np400288j
Molecular Weight 446.714 g/mol
Sample ID 42778
Solvent CDCl3