John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=GHQUU8Ong97 SpectraBase Spectrum ID=1ifL0SUH1Ma

(accessed ).
COLEBrIN-B;(24S)-STIGMAST-25-ENE-3-BETA,5-ALPHA,7-ALPHA-TRIOL
SpectraBase Compound ID GHQUU8Ong97
InChI InChI=1S/C29H50O3/c1-7-20(18(2)3)9-8-19(4)22-10-11-23-26-24(13-14-27(22,23)5)28(6)15-12-21(30)16-29(28,32)17-25(26)31/h19-26,30-32H,2,7-17H2,1,3-6H3/t19-,20-,21+,22-,23?,24?,25-,26+,27-,28-,29+/m1/s1
InChIKey GVQRWRMSCLGAJS-LVZKDSRZSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375996 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ifL0SUH1Ma
Name COLEBrIN-B;(24S)-STIGMAST-25-ENE-3-BETA,5-ALPHA,7-ALPHA-TRIOL
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-7-20(18(2)3)9-8-19(4)22-10-11-23-26-24(13-14-27(22,23)5)28(6)15-12-21(30)16-29(28,32)17-25(26)31/h19-26,30-32H,2,7-17H2,1,3-6H3/t19-,20-,21+,22-,23?,24?,25-,26+,27-,28-,29+/m1/s1
InChIKey GVQRWRMSCLGAJS-LVZKDSRZSA-N
Literature Reference Author H.YANG,J.WANG,A.J.HOU,Y.P.GUO,Z.W.LIN,H.D.SUN
Literature Reference Citation FITOTERAPIA,71,641(2000)
Literature Reference DOI 10.1016/S0367-326X(00)00223-9
Molecular Weight 446.714 g/mol
Solvent CDCl3
Source File Reference UWVN3891
SpectraBase Batch ID K0DVYZIYTtK