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(25R)-2,2,4,4,6,6,8,11,11-D9-5-ALPHA-SPIROSTANE-3,7,12-TRIONE

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(25R)-2,2,4,4,6,6,8,11,11-D9-5-ALPHA-SPIROSTANE-3,7,12-TRIONE
SpectraBase Compound ID 9NwOIHyaeGQ
InChI InChI=1S/C27H38O5/c1-14-5-8-27(31-13-14)15(2)24-21(32-27)11-19-23-18(12-22(30)26(19,24)4)25(3)7-6-17(28)9-16(25)10-20(23)29/h14-16,18-19,21,23-24H,5-13H2,1-4H3/t14-,15+,16-,18+,19+,21+,23-,24+,25+,26-,27+/m1/s1/i6D2,9D2,10D2,12D2,23D
InChIKey RFPHQCFLBZHZTI-XDMURBRRSA-N
Mol Weight 451.7 g/mol
Molecular Formula C27H292H9O5
Exact Mass 451.328415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2l5qOSGLnc
Name (25R)-2,2,4,4,6,6,8,11,11-D9-5-ALPHA-SPIROSTANE-3,7,12-TRIONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H292H9O5
InChI InChI=1S/C27H38O5/c1-14-5-8-27(31-13-14)15(2)24-21(32-27)11-19-23-18(12-22(30)26(19,24)4)25(3)7-6-17(28)9-16(25)10-20(23)29/h14-16,18-19,21,23-24H,5-13H2,1-4H3/t14-,15+,16-,18+,19+,21+,23-,24+,25+,26-,27+/m1/s1/i6D2,9D2,10D2,12D2,23D
InChIKey RFPHQCFLBZHZTI-XDMURBRRSA-N
Literature Reference Author G.BLUNDEN,A.V.PATEL,T.A.CRABB
Literature Reference Citation PHYTOCHEM.,29,1771(1990)
Literature Reference DOI 10.1016/0031-9422(90)85013-6
Molecular Weight 451.651 g/mol
Solvent CDCl3
Source File Reference UWLU32154