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(GAMMA,DELTA)-BI-O-AMPLEXICHROMANOL;(2-R)-2,7,8-TRIMETHYL-2-[(3-E,7-E)-4,8-DIMETHYL-13-HYDROXY-12-HYDROXYMETHYLDECA-3,7,11-TRIENYL]-
SpectraBase Compound ID 18MgRu537Ha
InChI InChI=1S/C55H80O8/c1-38(20-12-24-45(34-56)35-57)16-10-18-40(3)22-14-28-54(8)30-26-47-33-48(32-42(5)51(47)62-54)61-53-49-27-31-55(9,63-52(49)44(7)43(6)50(53)60)29-15-23-41(4)19-11-17-39(2)21-13-25-46(36-58)37-59/h16-17,22-25,32-33,56-60H,10-15,18-21,26-31,34-37H2,1-9H3/b38-16+,39-17+,40-22+,41-23+/t54-,55-/m1/s1
InChIKey AHWAVDGVKSJFCH-QFIUVCMDSA-N
Mol Weight 869.2 g/mol
Molecular Formula C55H80O8
Exact Mass 868.58532 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4dG5z0EnTlz
Name (GAMMA,DELTA)-BI-O-AMPLEXICHROMANOL;(2-R)-2,7,8-TRIMETHYL-2-[(3-E,7-E)-4,8-DIMETHYL-13-HYDROXY-12-HYDROXYMETHYLDECA-3,7,11-TRIENYL]-
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H80O8
InChI InChI=1S/C55H80O8/c1-38(20-12-24-45(34-56)35-57)16-10-18-40(3)22-14-28-54(8)30-26-47-33-48(32-42(5)51(47)62-54)61-53-49-27-31-55(9,63-52(49)44(7)43(6)50(53)60)29-15-23-41(4)19-11-17-39(2)21-13-25-46(36-58)37-59/h16-17,22-25,32-33,56-60H,10-15,18-21,26-31,34-37H2,1-9H3/b38-16+,39-17+,40-22+,41-23+/t54-,55-/m1/s1
InChIKey AHWAVDGVKSJFCH-QFIUVCMDSA-N
Literature Reference Author A.LAVAUD,P.RICHOMME,M.LITAUDON,R.ANDRIANTSITOHAINA,D.GUILET
Literature Reference Citation J.NAT.PROD.,76,2246(2013)
Literature Reference DOI 10.1021/np400598y
Molecular Weight 869.235 g/mol
Solvent CDCl3
Source File Reference UWMZ43527