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TERRESTERONE-B;1-ALPHA,2-BETA,3-ALPHA-TRIHYDROXY-PREGNA-4,7,16-TRIEN-12,20-DIONE;1-ALPHA-HYDROXY-12-DEHYDROSTIZOPHYLLIN
SpectraBase Compound ID HUljDcuyQyE
InChI InChI=1S/C21H26O5/c1-10(22)13-6-7-14-12-5-4-11-8-16(23)18(25)19(26)20(11,2)15(12)9-17(24)21(13,14)3/h5-6,8,14-16,18-19,23,25-26H,4,7,9H2,1-3H3/t14-,15-,16-,18+,19-,20-,21+/m0/s1
InChIKey DLJITFFQRIHLKS-CZFMHFDVSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BAxEVnur31I
Name TERRESTERONE-B;1-ALPHA,2-BETA,3-ALPHA-TRIHYDROXY-PREGNA-4,7,16-TRIEN-12,20-DIONE;1-ALPHA-HYDROXY-12-DEHYDROSTIZOPHYLLIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-10(22)13-6-7-14-12-5-4-11-8-16(23)18(25)19(26)20(11,2)15(12)9-17(24)21(13,14)3/h5-6,8,14-16,18-19,23,25-26H,4,7,9H2,1-3H3/t14-,15-,16-,18+,19-,20-,21+/m0/s1
InChIKey DLJITFFQRIHLKS-CZFMHFDVSA-N
Literature Reference Author N.RADULOVIC,D.N.QUANG,T.HASHIMOTO,M.NUKADA,M.TANAKA,Y.ASAKAW A
Literature Reference Citation CHEM.PHARM.BULL.,53,309(2005)
Literature Reference DOI 10.1248/cpb.53.309
Molecular Weight 358.434 g/mol
Sample ID 53907
Solvent CDCl3