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CERTONARDOSIDE_H2;(24R)-24-(1)-O-BETA-(4-O-METHYL-D-XYLOPYRANOSYL)-24-METHYL-5-ALPHA-CHOLESTANE-3-BETA,4-BETA,6-ALPHA,15-BETA,24(1)-PENTOL
SpectraBase Compound ID AFL6ZfAGuAB
InChI InChI=1S/C34H60O9/c1-17(2)19(15-42-32-31(40)30(39)26(41-6)16-43-32)8-7-18(3)22-14-25(37)27-20-13-24(36)28-29(38)23(35)10-12-33(28,4)21(20)9-11-34(22,27)5/h17-32,35-40H,7-16H2,1-6H3/t18-,19-,20?,21?,22-,23+,24+,25-,26+,27?,28+,29+,30-,31+,32+,33-,34-/m1/s1
InChIKey OAGSRNSUBLXQCH-GJECXKIJSA-N
Mol Weight 612.8 g/mol
Molecular Formula C34H60O9
Exact Mass 612.423734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qdGc8NHbex
Name CERTONARDOSIDE_H2;(24R)-24-(1)-O-BETA-(4-O-METHYL-D-XYLOPYRANOSYL)-24-METHYL-5-ALPHA-CHOLESTANE-3-BETA,4-BETA,6-ALPHA,15-BETA,24(1)-PENTOL
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H60O9
InChI InChI=1S/C34H60O9/c1-17(2)19(15-42-32-31(40)30(39)26(41-6)16-43-32)8-7-18(3)22-14-25(37)27-20-13-24(36)28-29(38)23(35)10-12-33(28,4)21(20)9-11-34(22,27)5/h17-32,35-40H,7-16H2,1-6H3/t18-,19-,20?,21?,22-,23+,24+,25-,26+,27?,28+,29+,30-,31+,32+,33-,34-/m1/s1
InChIKey OAGSRNSUBLXQCH-GJECXKIJSA-N
Literature Reference Author W.WANG,J.HONG,C.O.LEE,K.S.IM,J.S.CHOI,J.H.JUNG
Literature Reference Citation J.NAT.PROD.,67,584(2004)
Literature Reference DOI 10.1021/np030427u
Molecular Weight 612.845 g/mol
Solvent CD3OD
Source File Reference UWMZ5690