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12b-Dime-pentenoyloxy-3b,8,14-trihydroxy-14b,17a-pregn-5-en-20-one

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12b-Dime-pentenoyloxy-3b,8,14-trihydroxy-14b,17a-pregn-5-en-20-one
SpectraBase Compound ID Fy5dfucAwsA
InChI InChI=1S/C28H42O6/c1-16(2)17(3)13-24(31)34-23-15-22-25(5)10-8-20(30)14-19(25)7-11-27(22,32)28(33)12-9-21(18(4)29)26(23,28)6/h7,13,16,20-23,30,32-33H,8-12,14-15H2,1-6H3/b17-13+
InChIKey SZUXICHIYZJLOY-GHRIWEEISA-N
Mol Weight 474.6 g/mol
Molecular Formula C28H42O6
Exact Mass 474.298139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID vJtk8A7wFm
Name 12b-(3,4-Dimethyl-2-pentenoyloxy)-3b,8,14-trihydroxy-14b,17b-pregn-5-en-20-one
CAS Registry Number 74985-62-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H42O6
InChI InChI=1S/C28H42O6/c1-16(2)17(3)13-24(31)34-23-15-22-25(5)10-8-20(30)14-19(25)7-11-27(22,32)28(33)12-9-21(18(4)29)26(23,28)6/h7,13,16,20-23,30,32-33H,8-12,14-15H2,1-6H3/b17-13+
InChIKey SZUXICHIYZJLOY-GHRIWEEISA-N
Literature Reference J.W. Blunt, J.B. Stothers, Org. Magn. Resonance 9, 439 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3