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acetic acid [(3S,13R,14R,17R)-17-[(1S)-2-keto-1-methyl-ethyl]-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester
SpectraBase Compound ID 8pQGHoAnmWe
InChI InChI=1S/C23H30O3/c1-14(13-24)21-8-9-22-20-6-4-16-12-17(26-15(2)25)5-7-18(16)19(20)10-11-23(21,22)3/h4,6,13-14,17,21-22H,5,7-12H2,1-3H3/t14-,17+,21-,22+,23-/m1/s1
InChIKey QEEIWRIKSKZSBK-KNGGYYDDSA-N
Mol Weight 354.49 g/mol
Molecular Formula C23H30O3
Exact Mass 354.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7cY31CLWNzY
Name acetic acid [(3S,13R,14R,17R)-17-[(1S)-2-keto-1-methyl-ethyl]-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester
Compound Number 23,20-FORMYL-19-NORPREGNA-5,7,9-TRIEN-3-BET A-YL-ACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H30O3
InChI InChI=1S/C23H30O3/c1-14(13-24)21-8-9-22-20-6-4-16-12-17(26-15(2)25)5-7-18(16)19(20)10-11-23(21,22)3/h4,6,13-14,17,21-22H,5,7-12H2,1-3H3/t14-,17+,21-,22+,23-/m1/s1
InChIKey QEEIWRIKSKZSBK-KNGGYYDDSA-N
Literature Reference Author A.F.BARRERO,J.E.OLTRA,J.A.POYATOS,D.JIMENEZ,E.OLIVER
Literature Reference Citation J.NAT.PROD.,61,1491(1998)
Literature Reference DOI 10.1021/np980199h
Molecular Weight 354.489 g/mol
Solvent CDCl3
Source File Reference UWGE1161