For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-BETA-HYDROXY-4,4,14-TRIMETHYL-7,11,15-TRIOXO-CHOL-8-EN-24-OIC-ACID
SpectraBase Compound ID 5Vj8GfIhGQW
InChI InChI=1S/C27H38O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-15,18-19,30H,7-13H2,1-6H3,(H,32,33)/t14-,15-,18+,19+,25+,26-,27+/m1/s1
InChIKey RLQLKSBGJRKCRK-ZFMKRSKMSA-N
Mol Weight 458.6 g/mol
Molecular Formula C27H38O6
Exact Mass 458.266839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5mKBLc6ZDDG
Name 3-BETA-HYDROXY-4,4,14-TRIMETHYL-7,11,15-TRIOXO-CHOL-8-EN-24-OIC-ACID
Compound Number 242
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38O6
InChI InChI=1S/C27H38O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-15,18-19,30H,7-13H2,1-6H3,(H,32,33)/t14-,15-,18+,19+,25+,26-,27+/m1/s1
InChIKey RLQLKSBGJRKCRK-ZFMKRSKMSA-N
Literature Reference Author Q.XIA,H.ZHANG,X.SUN,H.ZHAO,L.WU,D.ZHU,G.YANG,Y.SHAO,X.ZHANG, X.MAO,L.ZHANG,G.SHE
Literature Reference Citation MOLECULES,19,17478(2014)
Literature Reference DOI 10.3390/molecules191117478
Molecular Weight 458.595 g/mol
Solvent CDCl3
Source File Reference UWLU81900