SpectraBase Compound ID | Bl8eBc2Zy6Q |
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InChI | InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-27-28-44(7)37(42(39,4)5)26-29-46(9)38(44)25-24-35-36-34-41(2,3)30-31-43(36,6)32-33-45(35,46)8/h24,36-39H,10-23,25-34H2,1-9H3/t36?,37?,38?,39-,43+,44-,45+,46+/m0/s1 |
InChIKey | VFSRKCNYYCXRGI-QWZIDGQXSA-N |
Mol Weight | 665.1 g/mol |
Molecular Formula | C46H80O2 |
Exact Mass | 664.615832 g/mol |
SpectraBase Spectrum ID | KQHqVPfWRiw |
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Name | BETA-AMYRIL-PALMITATE |
Compound Number | 5 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C46H80O2 |
InChI | InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-27-28-44(7)37(42(39,4)5)26-29-46(9)38(44)25-24-35-36-34-41(2,3)30-31-43(36,6)32-33-45(35,46)8/h24,36-39H,10-23,25-34H2,1-9H3/t36?,37?,38?,39-,43+,44-,45+,46+/m0/s1 |
InChIKey | VFSRKCNYYCXRGI-QWZIDGQXSA-N |
Literature Reference Author | J.P.CHAVEZ,I.D.D.SANTOS,F.G.CRUZ,J.M.DAVID |
Literature Reference Citation | PHYTOCHEM.,41,941(1996) |
Literature Reference DOI | 10.1016/0031-9422(95)00681-8 |
Molecular Weight | 665.140 g/mol |
Solvent | CDCl3 |
Source File Reference | UWLU4158 |