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12-O-BENZOYL-3-BETA,8-BETA,12-BETA,14,17-PENTAHYDROXY-14-BETA,17-ALPHA-PREGN-5-EN-20-ONE
SpectraBase Compound ID 1ykhcTPBQOf
InChI InChI=1S/C28H36O7/c1-17(29)26(32)13-14-28(34)25(26,3)22(35-23(31)18-7-5-4-6-8-18)16-21-24(2)11-10-20(30)15-19(24)9-12-27(21,28)33/h4-9,20-22,30,32-34H,10-16H2,1-3H3/t20-,21+,22+,24-,25+,26-,27-,28+/m0/s1
InChIKey XESLPBJMIWFAMZ-PJGGZQAVSA-N
Mol Weight 484.6 g/mol
Molecular Formula C28H36O7
Exact Mass 484.246103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8a5Qt1GR88F
Name 12-O-BENZOYL-3-BETA,8-BETA,12-BETA,14,17-PENTAHYDROXY-14-BETA,17-ALPHA-PREGN-5-EN-20-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36O7
InChI InChI=1S/C28H36O7/c1-17(29)26(32)13-14-28(34)25(26,3)22(35-23(31)18-7-5-4-6-8-18)16-21-24(2)11-10-20(30)15-19(24)9-12-27(21,28)33/h4-9,20-22,30,32-34H,10-16H2,1-3H3/t20-,21+,22+,24-,25+,26-,27-,28+/m0/s1
InChIKey XESLPBJMIWFAMZ-PJGGZQAVSA-N
Literature Reference Author S.TSUKAMOTO,K.HAYASHI,H.MITSUHASHI
Literature Reference Citation CHEM.PHARM.BULL.,33,2294(1985)
Literature Reference DOI 10.1248/cpb.33.2294
Molecular Weight 484.590 g/mol
Solvent PYRIDINE-D5
Source File Reference UWBK1253