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(20R)-CHOLESTA-5,25-DIENE-4-O-ACETYL-3-ALPHA,4-BETA,21-TRIOL
SpectraBase Compound ID KSlNEDzI3Xa
InChI InChI=1S/C29H46O4/c1-18(2)7-6-8-20(17-30)22-11-12-23-21-9-10-25-27(33-19(3)31)26(32)14-16-29(25,5)24(21)13-15-28(22,23)4/h10,20-24,26-27,30,32H,1,6-9,11-17H2,2-5H3/t20-,21-,22+,23-,24-,26+,27+,28+,29+/m0/s1
InChIKey WIXZTARWIUQDKR-AXUGDCIZSA-N
Mol Weight 458.7 g/mol
Molecular Formula C29H46O4
Exact Mass 458.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4kIWPSsp5IW
Name (20R)-CHOLESTA-5,25-DIENE-4-O-ACETYL-3-ALPHA,4-BETA,21-TRIOL
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46O4
InChI InChI=1S/C29H46O4/c1-18(2)7-6-8-20(17-30)22-11-12-23-21-9-10-25-27(33-19(3)31)26(32)14-16-29(25,5)24(21)13-15-28(22,23)4/h10,20-24,26-27,30,32H,1,6-9,11-17H2,2-5H3/t20-,21-,22+,23-,24-,26+,27+,28+,29+/m0/s1
InChIKey WIXZTARWIUQDKR-AXUGDCIZSA-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 458.682 g/mol
Solvent CDCl3
Source File Reference UWRK163