John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1penIpHA2io SpectraBase Spectrum ID=1j6y65f9K54

(accessed ).
(25R)-3-BETA-HYDROXY-5-ALPHA-SPIROSTANE-7,12-DIONE
SpectraBase Compound ID 1penIpHA2io
InChI InChI=1S/C27H40O5/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/h14-19,21,23-24,28H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19+,21+,23-,24+,25+,26-,27+/m1/s1
InChIKey MLMCPDWOHJAAIE-CBKNDPDYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C27H40O5
Exact Mass 444.287575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1j6y65f9K54
Name (25R)-3-BETA-HYDROXY-5-ALPHA-SPIROSTANE-7,12-DIONE
Compound Number 11
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O5
InChI InChI=1S/C27H40O5/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/h14-19,21,23-24,28H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19+,21+,23-,24+,25+,26-,27+/m1/s1
InChIKey MLMCPDWOHJAAIE-CBKNDPDYSA-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 444.612 g/mol
Solvent CDCl3
Source File Reference UWLU32157
SpectraBase Batch ID CGog3skLoMs