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3b-Acetoxy-5b-androstan-12-one-17b-carboxylic acid, 14b-lactone

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3b-Acetoxy-5b-androstan-12-one-17b-carboxylic acid, 14b-lactone
SpectraBase Compound ID 12quvkfkMLi
InChI InChI=1S/C22H30O5/c1-12(23)26-14-6-8-20(2)13(10-14)4-5-15-17(20)11-18(24)21(3)16-7-9-22(15,21)27-19(16)25/h13-17H,4-11H2,1-3H3/t13?,14?,15?,16-,17?,20?,21?,22+/m1/s1
InChIKey KTXPDIAMCSULDH-DTKRSCKASA-N
Mol Weight 374.48 g/mol
Molecular Formula C22H30O5
Exact Mass 374.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5CNuHoqGUk
Name 3b-Acetoxy-5b-androstan-12-one-17b-carboxylic acid, 14b-lactone
CAS Registry Number 101039-54-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H30O5
InChI InChI=1S/C22H30O5/c1-12(23)26-14-6-8-20(2)13(10-14)4-5-15-17(20)11-18(24)21(3)16-7-9-22(15,21)27-19(16)25/h13-17H,4-11H2,1-3H3/t13?,14?,15?,16-,17?,20?,21?,22+/m1/s1
InChIKey KTXPDIAMCSULDH-DTKRSCKASA-N
Instrument Name Bruker AM-300
Literature Reference G.G. Habermehl, P.E. Hammann, V.Wray, Magn. Res. Chem. 23, 959 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3