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Butyl lucidenate A
SpectraBase Compound ID 1IBMwGKT3YR
InChI InChI=1S/C31H46O6/c1-8-9-14-37-25(36)11-10-18(2)19-15-24(35)31(7)27-20(32)16-22-28(3,4)23(34)12-13-29(22,5)26(27)21(33)17-30(19,31)6/h18-20,22,32H,8-17H2,1-7H3/t18-,19-,20+,22+,29+,30-,31+/m1/s1
InChIKey VTRNTNWDQWDREE-UGUHEFQYSA-N
Mol Weight 514.7 g/mol
Molecular Formula C31H46O6
Exact Mass 514.329439 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2xHWKRoKup
Name Butyl lucidenate A
Appearance White amorphous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H46O6
InChI InChI=1S/C31H46O6/c1-8-9-14-37-25(36)11-10-18(2)19-15-24(35)31(7)27-20(32)16-22-28(3,4)23(34)12-13-29(22,5)26(27)21(33)17-30(19,31)6/h18-20,22,32H,8-17H2,1-7H3/t18-,19-,20+,22+,29+,30-,31+/m1/s1
InChIKey VTRNTNWDQWDREE-UGUHEFQYSA-N
Instrument Name Hewlett-Packard 5989B
Ionization Type EI
Literature Reference DOI 10.1021/np900578h
Molecular Weight 514.703 g/mol
Optical Rotation [a]D25 = +25.0 (c = 0.1, CHCl3)
Reported Formula C31H46O6
SMILES O[C@@]1(C2=C([C@]3(CCC(C([C@@]3(C1)[H])(C)C)=O)C)C(C[C@]1([C@]2(C(C[C@@]1([C@@](CCC(OCCCC)=O)(C)[H])[H])=O)C)C)=O)[H]
SPLASH splash10-004i-1109210000-5df94564f6ea768806f4
Source of Spectrum G4-73-176-4
Wiley ID 1846412