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NIGRASIN_F;(2-S*,6A-S,11B-R)-6A,11B-DIHYDRO-5,6A,9-TRIHYDROXY-2-(1-METHYLETHENYL)-11B-(3-METHYL-2-BUTEN-1-YL)-1-H,2-H,6-H-BENZO

View entire compound with spectra: 1 NMR, and 1 MS (GC)

NIGRASIN_F;(2-S*,6A-S,11B-R)-6A,11B-DIHYDRO-5,6A,9-TRIHYDROXY-2-(1-METHYLETHENYL)-11B-(3-METHYL-2-BUTEN-1-YL)-1-H,2-H,6-H-BENZO
SpectraBase Compound ID BUpCzsRRIfS
InChI InChI=1S/C25H24O7/c1-12(2)7-8-24-16-6-5-14(26)9-20(16)31-25(24,29)23(28)21-17(27)11-19-15(22(21)32-24)10-18(30-19)13(3)4/h5-7,9,11,18,26-27,29H,3,8,10H2,1-2,4H3/t18-,24+,25+/m0/s1
InChIKey HUMOTOGWFSSVMP-PISWEHOVSA-N
Mol Weight 436.46 g/mol
Molecular Formula C25H24O7
Exact Mass 436.152203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8lajaNU4JTo
Name NIGRASIN_F;(2-S*,6A-S,11B-R)-6A,11B-DIHYDRO-5,6A,9-TRIHYDROXY-2-(1-METHYLETHENYL)-11B-(3-METHYL-2-BUTEN-1-YL)-1-H,2-H,6-H-BENZO
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H24O7
InChI InChI=1S/C25H24O7/c1-12(2)7-8-24-16-6-5-14(26)9-20(16)31-25(24,29)23(28)21-17(27)11-19-15(22(21)32-24)10-18(30-19)13(3)4/h5-7,9,11,18,26-27,29H,3,8,10H2,1-2,4H3/t18-,24+,25+/m0/s1
InChIKey HUMOTOGWFSSVMP-PISWEHOVSA-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 436.461 g/mol
Sample ID 37344
Solvent ACETONE-D6