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(20R)-24-NOR-CHOLESTA-5,22E-DIENE-2-O-ACETYL-2-BETA,3-ALPHA,21-TRIOL
SpectraBase Compound ID BCKAV55xPiy
InChI InChI=1S/C28H44O4/c1-17(2)6-7-19(16-29)22-10-11-23-21-9-8-20-14-25(31)26(32-18(3)30)15-28(20,5)24(21)12-13-27(22,23)4/h6-8,17,19,21-26,29,31H,9-16H2,1-5H3/b7-6+/t19-,21-,22+,23-,24-,25-,26-,27+,28-/m0/s1
InChIKey QMMNAFGLMYSNEY-GSSPVTTCSA-N
Mol Weight 444.7 g/mol
Molecular Formula C28H44O4
Exact Mass 444.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8uBHtNj8BLR
Name (20R)-24-NOR-CHOLESTA-5,22E-DIENE-2-O-ACETYL-2-BETA,3-ALPHA,21-TRIOL
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H44O4
InChI InChI=1S/C28H44O4/c1-17(2)6-7-19(16-29)22-10-11-23-21-9-8-20-14-25(31)26(32-18(3)30)15-28(20,5)24(21)12-13-27(22,23)4/h6-8,17,19,21-26,29,31H,9-16H2,1-5H3/b7-6+/t19-,21-,22+,23-,24-,25-,26-,27+,28-/m0/s1
InChIKey QMMNAFGLMYSNEY-GSSPVTTCSA-N
Literature Reference Author S.N.FEDOROV,E.V.LEVINA,A.I.KALINOVSKY,P.S.DMITRENOK,V.A.STON IK
Literature Reference Citation J.NAT.PROD.,57,1631(1994)
Literature Reference DOI 10.1021/np50114a004
Molecular Weight 444.655 g/mol
Solvent CDCl3
Source File Reference UWRK166