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(20S)-3-BETA,16-BETA,20-TRIHYDROXY-5-ALPHA-PREGNANE-20-CARBOXYLIC-ACID-22,16-LACTONE
SpectraBase Compound ID Keb5u8Au3k2
InChI InChI=1S/C22H34O4/c1-20-8-6-13(23)10-12(20)4-5-14-15(20)7-9-21(2)16(14)11-17-18(21)22(3,25)19(24)26-17/h12-18,23,25H,4-11H2,1-3H3/t12-,13-,14+,15-,16-,17-,18-,20-,21-,22?/m0/s1
InChIKey OCPGSVYCKLXPSO-UGHHEKSMSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2EXdI48p75Q
Name (20S)-3-BETA,16-BETA,20-TRIHYDROXY-5-ALPHA-PREGNANE-20-CARBOXYLIC-ACID-22,16-LACTONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-20-8-6-13(23)10-12(20)4-5-14-15(20)7-9-21(2)16(14)11-17-18(21)22(3,25)19(24)26-17/h12-18,23,25H,4-11H2,1-3H3/t12-,13-,14+,15-,16-,17-,18-,20-,21-,22?/m0/s1
InChIKey OCPGSVYCKLXPSO-UGHHEKSMSA-N
Literature Reference Author T.NAGAOKA,T.YOSHIHARA,S.SAKAMURA
Literature Reference Citation PHYTOCHEM.,26,2113(1987)
Literature Reference DOI 10.1016/S0031-9422(00)81773-2
Molecular Weight 362.510 g/mol
Solvent CDCl3:CD3OD=1:1
Source File Reference UWBK1122