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CYCLOPYRRHOXANTHIN
SpectraBase Compound ID 8XxwDdtfqRV
InChI InChI=1S/C39H48O6/c1-26(16-17-34-28(3)21-32(43-29(4)40)23-36(34,5)6)14-12-10-11-13-15-27(2)20-31-22-30(35(41)44-31)18-19-39-37(7,8)24-33(45-39)25-38(39,9)42/h10-15,18-20,22,32-33,42H,21,23-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,31-20-/t32-,33+,38-,39-/m1/s1
InChIKey GRBTZPLUNSWVPO-YOZNXODWSA-N
Mol Weight 612.8 g/mol
Molecular Formula C39H48O6
Exact Mass 612.345089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AqupdWoWPVu
Name CYCLOPYRRHOXANTHIN
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H48O6
InChI InChI=1S/C39H48O6/c1-26(16-17-34-28(3)21-32(43-29(4)40)23-36(34,5)6)14-12-10-11-13-15-27(2)20-31-22-30(35(41)44-31)18-19-39-37(7,8)24-33(45-39)25-38(39,9)42/h10-15,18-20,22,32-33,42H,21,23-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,31-20-/t32-,33+,38-,39-/m1/s1
InChIKey GRBTZPLUNSWVPO-YOZNXODWSA-N
Literature Reference Author T.MAOKA,Y.FUJIWARA,K.HASHIMOTO,N.AKIMOTO
Literature Reference Citation J.NAT.PROD.,68,1341(2005)
Literature Reference DOI 10.1021/np058053n
Molecular Weight 612.807 g/mol
Solvent CDCl3
Source File Reference UWMZ13384