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NIGRASIN_D;(2-R*,5A-S,10B-R)-5A,10B-DIHYDRO-4,5A,8-TRIHYDROXY-2-(1-HYDROXY-1-METHYLETHYL)-10B-(3-METHAL-2-BUTEN-1-YL)-2-H,3-H,6-H

View entire compound with spectra: 1 NMR

NIGRASIN_D;(2-R*,5A-S,10B-R)-5A,10B-DIHYDRO-4,5A,8-TRIHYDROXY-2-(1-HYDROXY-1-METHYLETHYL)-10B-(3-METHAL-2-BUTEN-1-YL)-2-H,3-H,6-H
SpectraBase Compound ID 2OTXioOIw6i
InChI InChI=1S/C25H26O8/c1-12(2)7-8-24-15-6-5-13(26)9-17(15)33-25(24,30)22(28)20-18(32-24)11-16-14(21(20)27)10-19(31-16)23(3,4)29/h5-7,9,11,19,26-27,29-30H,8,10H2,1-4H3/t19-,24-,25-/m1/s1
InChIKey TXDONVUXISPTKQ-UKDVSSAZSA-N
Mol Weight 454.48 g/mol
Molecular Formula C25H26O8
Exact Mass 454.162768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7oSwp1UUPSk
Name NIGRASIN_D;(2-R*,5A-S,10B-R)-5A,10B-DIHYDRO-4,5A,8-TRIHYDROXY-2-(1-HYDROXY-1-METHYLETHYL)-10B-(3-METHAL-2-BUTEN-1-YL)-2-H,3-H,6-H
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H26O8
InChI InChI=1S/C25H26O8/c1-12(2)7-8-24-15-6-5-13(26)9-17(15)33-25(24,30)22(28)20-18(32-24)11-16-14(21(20)27)10-19(31-16)23(3,4)29/h5-7,9,11,19,26-27,29-30H,8,10H2,1-4H3/t19-,24-,25-/m1/s1
InChIKey TXDONVUXISPTKQ-UKDVSSAZSA-N
Literature Reference Author X.HU,J.W.WU,X.D.ZHANG,Q.S.ZHAO,J.M.HUANG,H.Y.WANG,A.J.HOU
Literature Reference Citation J.NAT.PROD.,74,816(2011)
Literature Reference DOI 10.1021/np100907d
Molecular Weight 454.477 g/mol
Sample ID 37342
Solvent ACETONE-D6