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(+)-(13-R,19-S)-1-BETA,11-ALPHA-DIACETOXY-2-ALPHA-BENZOYLOXY-13,19-DIHYDROXYHETISAN
SpectraBase Compound ID GEqkMldddlE
InChI InChI=1S/C31H35NO8/c1-13-10-30-11-17-23-29(4)12-18(40-27(36)16-8-6-5-7-9-16)26(39-15(3)34)31(23)24(30)22(38-14(2)33)19(13)21(35)20(30)25(31)32(17)28(29)37/h5-9,17-26,28,35,37H,1,10-12H2,2-4H3/t17-,18-,19-,20?,21-,22+,23+,24+,25+,26+,28+,29+,30-,31+/m0/s1
InChIKey HPZCKTUZVQUMAM-UBUVOVIPSA-N
Mol Weight 549.6 g/mol
Molecular Formula C31H35NO8
Exact Mass 549.236267 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9lXphF3d0oD
Name (+)-(13-R,19-S)-1-BETA,11-ALPHA-DIACETOXY-2-ALPHA-BENZOYLOXY-13,19-DIHYDROXYHETISAN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H35NO8
InChI InChI=1S/C31H35NO8/c1-13-10-30-11-17-23-29(4)12-18(40-27(36)16-8-6-5-7-9-16)26(39-15(3)34)31(23)24(30)22(38-14(2)33)19(13)21(35)20(30)25(31)32(17)28(29)37/h5-9,17-26,28,35,37H,1,10-12H2,2-4H3/t17-,18-,19-,20?,21-,22+,23+,24+,25+,26+,28+,29+,30-,31+/m0/s1
InChIKey HPZCKTUZVQUMAM-UBUVOVIPSA-N
Literature Reference Author B.JIANG,S.LIN,C.ZHU,S.WANG,Y.WANG,M.CHEN,J.ZHANG,J.HU,N.CHEN ,Y.YANG,J.SHI
Literature Reference Citation J.NAT.PROD.,75,1145(2012)
Literature Reference DOI 10.1021/np300225t
Molecular Weight 549.621 g/mol
Sample ID 41143
Solvent ACETONE-D6