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

*Links on SpectraBase are not permalinks.
3-BETA-OXO-FORMYL-7-BETA,12-BETA-DIHYDROXY-4,4,14-ALPHA-TRIMETHYL-5-ALPHA-CHOL-11,15-DIOXO-8-EN-(E)-24-OIC-ACID
SpectraBase Compound ID Jm6ELJfdTT3
InChI InChI=1S/C28H40O8/c1-14(7-8-20(32)33)15-11-18(31)28(6)21-16(30)12-17-25(2,3)19(36-13-29)9-10-26(17,4)22(21)23(34)24(35)27(15,28)5/h13-17,19,24,30,35H,7-12H2,1-6H3,(H,32,33)/t14-,15+,16-,17-,19-,24+,26-,27-,28-/m0/s1
InChIKey GCGGCUUDQFMPII-MGECYJPJSA-N
Mol Weight 504.6 g/mol
Molecular Formula C28H40O8
Exact Mass 504.272318 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 J3rrs3B7DOF
Name 3-BETA-OXO-FORMYL-7-BETA,12-BETA-DIHYDROXY-4,4,14-ALPHA-TRIMETHYL-5-ALPHA-CHOL-11,15-DIOXO-8-EN-(E)-24-OIC-ACID
Compound Number 234
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O8
InChI InChI=1S/C28H40O8/c1-14(7-8-20(32)33)15-11-18(31)28(6)21-16(30)12-17-25(2,3)19(36-13-29)9-10-26(17,4)22(21)23(34)24(35)27(15,28)5/h13-17,19,24,30,35H,7-12H2,1-6H3,(H,32,33)/t14-,15+,16-,17-,19-,24+,26-,27-,28-/m0/s1
InChIKey GCGGCUUDQFMPII-MGECYJPJSA-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 504.621 g/mol
Solvent CDCl3
Source File Reference UWLU81896