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CERTONARDOSTEROL-Q2;(24S)-3-BETA,4-BETA,6-ALPHA,8,24-PENTAHYDROXY-5-ALPHA-CHOLESTAN-15-ONE
SpectraBase Compound ID Jz4r1TLSo40
InChI InChI=1S/C27H46O6/c1-14(2)17(28)7-6-15(3)16-12-19(30)24-25(16,4)11-9-21-26(5)10-8-18(29)23(32)22(26)20(31)13-27(21,24)33/h14-18,20-24,28-29,31-33H,6-13H2,1-5H3/t15-,16?,17-,18+,20+,21?,22?,23+,24?,25-,26-,27+/m1/s1
InChIKey HHISQTCEBVYNHD-HXSVEMHGSA-N
Mol Weight 466.7 g/mol
Molecular Formula C27H46O6
Exact Mass 466.329439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JK0amFkOo8W
Name CERTONARDOSTEROL-Q2;(24S)-3-BETA,4-BETA,6-ALPHA,8,24-PENTAHYDROXY-5-ALPHA-CHOLESTAN-15-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H46O6
InChI InChI=1S/C27H46O6/c1-14(2)17(28)7-6-15(3)16-12-19(30)24-25(16,4)11-9-21-26(5)10-8-18(29)23(32)22(26)20(31)13-27(21,24)33/h14-18,20-24,28-29,31-33H,6-13H2,1-5H3/t15-,16?,17-,18+,20+,21?,22?,23+,24?,25-,26-,27+/m1/s1
InChIKey HHISQTCEBVYNHD-HXSVEMHGSA-N
Literature Reference Author W.WANG,H.JANG,J.HONG,C.O.LEE,K.S.IM,S.J.BAE,J.H.JUNG
Literature Reference Citation J.NAT.PROD.,67,1654(2004)
Literature Reference DOI 10.1021/np049869b
Molecular Weight 466.659 g/mol
Solvent CD3OD
Source File Reference UWMZ6503