John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=13xjOyQdM1s SpectraBase Spectrum ID=ItPLBKyhVWQ

(accessed ).
3-BETA,23,25-TRIHYDROXY-24,28-EPOXY-5-ALPHA-STIGMASTA-8(9),14(15)-DIENE
SpectraBase Compound ID 13xjOyQdM1s
InChI InChI=1S/C29H46O4/c1-17(15-25(31)29(18(2)33-29)26(3,4)32)22-9-10-23-21-8-7-19-16-20(30)11-13-27(19,5)24(21)12-14-28(22,23)6/h10,17-20,22,25,30-32H,7-9,11-16H2,1-6H3/t17-,18?,19?,20+,22-,25?,27+,28-,29+/m1/s1
InChIKey CVRIDWJAMQLKSY-VXKSAROCSA-N
Mol Weight 458.7 g/mol
Molecular Formula C29H46O4
Exact Mass 458.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ItPLBKyhVWQ
Name 3-BETA,23,25-TRIHYDROXY-24,28-EPOXY-5-ALPHA-STIGMASTA-8(9),14(15)-DIENE
Compound Number 6
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46O4
InChI InChI=1S/C29H46O4/c1-17(15-25(31)29(18(2)33-29)26(3,4)32)22-9-10-23-21-8-7-19-16-20(30)11-13-27(19,5)24(21)12-14-28(22,23)6/h10,17-20,22,25,30-32H,7-9,11-16H2,1-6H3/t17-,18?,19?,20+,22-,25?,27+,28-,29+/m1/s1
InChIKey CVRIDWJAMQLKSY-VXKSAROCSA-N
Literature Reference Author G.CIOFFI,R.SANOGO,D.DIALLO,G.ROMUSSI,N.D.TOMMASI
Literature Reference Citation J.NAT.PROD.,67,389(2004)
Literature Reference DOI 10.1021/np030337p
Molecular Weight 458.682 g/mol
Solvent CD3OD
Source File Reference UWKP4230
SpectraBase Batch ID BvTzo4Ibwfy