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BRISBAGENIN;(25R)-1-BETA,3-ALPHA-DIHYDROXY-5-ALPHA-SPIROSTANE
SpectraBase Compound ID 3qeWCebZ4Kw
InChI InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
InChIKey NCLLSOCDVMFDSK-WSORYGKISA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6lNF2s8THmh
Name BRISBAGENIN;(25R)-1-BETA,3-ALPHA-DIHYDROXY-5-ALPHA-SPIROSTANE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
InChIKey NCLLSOCDVMFDSK-WSORYGKISA-N
Literature Reference Author P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK
Literature Reference Citation MAGN.RES.CHEM.,33,923(1995)
Literature Reference DOI 10.1002/mrc.1260331202
Molecular Weight 432.644 g/mol
Solvent CDCl3
Source File Reference UWCS22095