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3-BETA,8,12-BETA,14-BETA,17-BETA,20(S)-HEXAHYDROXY-PREGN-5-ENE-3-O-BENZOATE
SpectraBase Compound ID CrYwfhRrVw7
InChI InChI=1S/C28H38O7/c1-17(29)26(32)13-14-28(34)25(26,3)22(30)16-21-24(2)11-10-20(15-19(24)9-12-27(21,28)33)35-23(31)18-7-5-4-6-8-18/h4-9,17,20-22,29-30,32-34H,10-16H2,1-3H3/t17?,20-,21+,22+,24-,25+,26+,27-,28+/m0/s1
InChIKey VSDVTVFOFWGXFV-WLWYNFFFSA-N
Mol Weight 486.6 g/mol
Molecular Formula C28H38O7
Exact Mass 486.261754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EeQLuuWc4Of
Name 3-BETA,8,12-BETA,14-BETA,17-BETA,20(S)-HEXAHYDROXY-PREGN-5-ENE-3-O-BENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38O7
InChI InChI=1S/C28H38O7/c1-17(29)26(32)13-14-28(34)25(26,3)22(30)16-21-24(2)11-10-20(15-19(24)9-12-27(21,28)33)35-23(31)18-7-5-4-6-8-18/h4-9,17,20-22,29-30,32-34H,10-16H2,1-3H3/t17?,20-,21+,22+,24-,25+,26+,27-,28+/m0/s1
InChIKey VSDVTVFOFWGXFV-WLWYNFFFSA-N
Literature Reference Author T.YAMAGISHI,K.HAYASHI,H.MITSUHASHI,M.IMANARI,K.MATSUSHITA
Literature Reference Citation TETRAH.LETT.,14,3527(1973)
Literature Reference DOI 10.1016/S0040-4039(01)86961-6
Molecular Weight 486.606 g/mol
Solvent DMSO-D6
Source File Reference UWBK1083