John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2JjtNYsFFna SpectraBase Spectrum ID=2bBI0nETCFy

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Ergosta-5,24(28)-diene-3.beta.,7.alpha.-diol
SpectraBase Compound ID 2JjtNYsFFna
InChI InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h16-17,19,21-26,29-30H,3,7-15H2,1-2,4-6H3/t19-,21+,22-,23+,24+,25-,26+,27+,28-/m1/s1
InChIKey OIBDKISTMGYAJC-JEPZXVLISA-N
Mol Weight 414.7 g/mol
Molecular Formula C28H46O2
Exact Mass 414.349781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bBI0nETCFy
Name ERGOSTA-5,24(28)-DIENE-3-BETA,7-ALPHA-DIOL
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H46O2
InChI InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h16-17,19,21-26,29-30H,3,7-15H2,1-2,4-6H3/t19-,21+,22-,23+,24+,25-,26+,27+,28-/m1/s1
InChIKey OIBDKISTMGYAJC-JEPZXVLISA-N
Literature Reference Author A.A.L.GUNATILAKA,G.SAMARANAYAKE,D.G.I.KINGSTON,G.HOFFMANN,R. K.JOHNSON
Literature Reference Citation J.NAT.PROD.,55,1648(1992)
Literature Reference DOI 10.1021/np50089a014
Molecular Weight 414.672 g/mol
Solvent CDCl3
Source File Reference UWCS4200
SpectraBase Batch ID IGRnM7CG3o2