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SCHLEICHERASTATIN-5;3-BETA,22-ALPHA-DIHYDROXY-7-OXO-24-BETA-ETHYL-CHOLEST-5-ENE
SpectraBase Compound ID 42AMNEVE0Rq
InChI InChI=1S/C29H48O3/c1-7-19(17(2)3)14-25(31)18(4)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(30)15-20(28)16-26(27)32/h16-19,21-25,27,30-31H,7-15H2,1-6H3/t18-,19-,21-,22+,23-,24-,25-,27-,28-,29+/m0/s1
InChIKey XWLHFTUCQDCSTJ-YHDRSCHXSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AzzGHfXAM9R
Name SCHLEICHERASTATIN-5;3-BETA,22-ALPHA-DIHYDROXY-7-OXO-24-BETA-ETHYL-CHOLEST-5-ENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-7-19(17(2)3)14-25(31)18(4)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(30)15-20(28)16-26(27)32/h16-19,21-25,27,30-31H,7-15H2,1-6H3/t18-,19-,21-,22+,23-,24-,25-,27-,28-,29+/m0/s1
InChIKey XWLHFTUCQDCSTJ-YHDRSCHXSA-N
Literature Reference Author G.R.PETTIT,A.NUMATA,G.M.CRAGG,D.L.HERALD,T.TAKADA,C.IWAMOTO, R.RIESEN,J.M.SCHMIDT
Literature Reference Citation J.NAT.PROD.,63,72(2000)
Literature Reference DOI 10.1021/np990346r
Molecular Weight 444.698 g/mol
Solvent Unknown
Source File Reference UWRU1701