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CERTONARDOSTEROL-B;(25S)-24-METHYL-5-ALPHA-CHOLEST-24(24(1))-ENE-3-BETA,4-BETA,6-ALPHA,15-BETA,26-PENTOL
SpectraBase Compound ID LmcnHjXVXrl
InChI InChI=1S/C28H48O5/c1-15(17(3)14-29)6-7-16(2)20-13-23(32)24-18-12-22(31)25-26(33)21(30)9-11-27(25,4)19(18)8-10-28(20,24)5/h16-26,29-33H,1,6-14H2,2-5H3/t16-,17+,18-,19?,20?,21+,22+,23-,24?,25?,26+,27-,28-/m1/s1
InChIKey NJTYOAHMFCPZLI-QSBPLYPNSA-N
Mol Weight 464.7 g/mol
Molecular Formula C28H48O5
Exact Mass 464.350175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bPEr8W6TPW
Name CERTONARDOSTEROL-B;(25S)-24-METHYL-5-ALPHA-CHOLEST-24(24(1))-ENE-3-BETA,4-BETA,6-ALPHA,15-BETA,26-PENTOL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H48O5
InChI InChI=1S/C28H48O5/c1-15(17(3)14-29)6-7-16(2)20-13-23(32)24-18-12-22(31)25-26(33)21(30)9-11-27(25,4)19(18)8-10-28(20,24)5/h16-26,29-33H,1,6-14H2,2-5H3/t16-,17+,18-,19?,20?,21+,22+,23-,24?,25?,26+,27-,28-/m1/s1
InChIKey NJTYOAHMFCPZLI-QSBPLYPNSA-N
Literature Reference Author W.WANG,F.LI,Y.PARK,J.HONG,C.O.LEE,J.Y.KONG,S.SHIN,K.S.IM,J.H .JUNG
Literature Reference Citation J.NAT.PROD.,66,384(2003)
Literature Reference DOI 10.1021/np020507i
Molecular Weight 464.686 g/mol
Solvent CD3OD
Source File Reference UWSI4633