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#4;[1-S-[1-ALPHA-(4R*,5S*),3-ALPHA,4-BETA,5-ALPHA,6-ALPHA-(2E,4R*,6R*),7-BETA]]-1-[4-ACETYLOXY-5-METHYL-3-METHYLENE-6-PHENYLHEXYL]-4,6,7-TRIHYDROXY-2,8-DIOXABI

Compound with spectra: 1 NMR

#4;[1-S-[1-ALPHA-(4R*,5S*),3-ALPHA,4-BETA,5-ALPHA,6-ALPHA-(2E,4R*,6R*),7-BETA]]-1-[4-ACETYLOXY-5-METHYL-3-METHYLENE-6-PHENYLHEXYL]-4,6,7-TRIHYDROXY-2,8-DIOXABI
SpectraBase Compound ID 8PO7uFhmkC2
InChI InChI=1S/C38H52O14/c1-10-22(2)20-23(3)16-17-28(40)50-31-30(41)36(19-18-24(4)29(49-26(6)39)25(5)21-27-14-12-11-13-15-27)51-32(33(42)46-7)37(45,34(43)47-8)38(31,52-36)35(44)48-9/h11-17,22-23,25,29-32,41,45H,4,10,18-21H2,1-3,5-9H3/b17-16+/t22-,23+,25-,29-,30+,31+,32+,36-,37+,38-/m0/s1
InChIKey JURYPQGJYBUWKJ-OLXZIMECSA-N
Mol Weight 732.8 g/mol
Molecular Formula C38H52O14
Exact Mass 732.335706 g/mol
Enantiomer InChIKey JURYPQGJYBUWKJ-IPMZPQOCSA-N

View Spectrum of #4;[1-S-[1-ALPHA-(4R*,5S*),3-ALPHA,4-BETA,5-ALPHA,6-ALPHA-(2E,4R*,6R*),7-BETA]]-1-[4-ACETYLOXY-5-METHYL-3-METHYLENE-6-PHENYLHEXYL]-4,6,7-TRIHYDROXY-2,8-DIOXABI

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
The squalestatins, novel inhibitors of squalene synthase produced by a species of Phoma. II. Structure elucidation. The Journal of Antibiotics 1992
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