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(4-S,5-S,6-S,8-S,9-S,10-R,13-R,14-R,16-S,17-Z)-6,16-DIACETOXY-25-HYDROXY-3,7-DIOXY-29-NORDAMMARA-1,17-(20)-DIEN-21-OIC_ACID

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(4-S,5-S,6-S,8-S,9-S,10-R,13-R,14-R,16-S,17-Z)-6,16-DIACETOXY-25-HYDROXY-3,7-DIOXY-29-NORDAMMARA-1,17-(20)-DIEN-21-OIC_ACID
SpectraBase Compound ID 6E4lsNrFXwZ
InChI InChI=1S/C33H46O9/c1-17-22(36)13-15-31(6)24-12-11-21-25(20(29(38)39)10-9-14-30(4,5)40)23(41-18(2)34)16-32(21,7)33(24,8)28(37)27(26(17)31)42-19(3)35/h13,15,17,21,23-24,26-27,40H,9-12,14,16H2,1-8H3,(H,38,39)/b25-20-/t17-,21+,23+,24+,26-,27+,31-,32+,33-/m1/s1
InChIKey WLRJWQXWJBEULT-GAZAAFLYSA-N
Mol Weight 586.7 g/mol
Molecular Formula C33H46O9
Exact Mass 586.314183 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5edhtplYgST
Name (4-S,5-S,6-S,8-S,9-S,10-R,13-R,14-R,16-S,17-Z)-6,16-DIACETOXY-25-HYDROXY-3,7-DIOXY-29-NORDAMMARA-1,17-(20)-DIEN-21-OIC_ACID
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H46O9
InChI InChI=1S/C33H46O9/c1-17-22(36)13-15-31(6)24-12-11-21-25(20(29(38)39)10-9-14-30(4,5)40)23(41-18(2)34)16-32(21,7)33(24,8)28(37)27(26(17)31)42-19(3)35/h13,15,17,21,23-24,26-27,40H,9-12,14,16H2,1-8H3,(H,38,39)/b25-20-/t17-,21+,23+,24+,26-,27+,31-,32+,33-/m1/s1
InChIKey WLRJWQXWJBEULT-GAZAAFLYSA-N
Literature Reference Author M.ZHANG,W.L.WANG,Y.C.FANG,T.J.ZHU,Q.Q.GU,W.M.ZHU
Literature Reference Citation J.NAT.PROD.,71,985(2008)
Literature Reference DOI 10.1021/np700737g
Molecular Weight 586.723 g/mol
Sample ID 28402
Solvent CDCl3