SpectraBase Compound ID | 4NAXUIRYTIQ |
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InChI | InChI=1S/C27H41NO3/c1-16(2)21-10-9-17(3)14-24(21)30-27-22(15-25(29)31-27)23-8-7-11-28(23)26-19(5)12-18(4)13-20(26)6/h12-13,16-17,21-24,27H,7-11,14-15H2,1-6H3/t17?,21?,22-,23+,24?,27+/m0/s1 |
InChIKey | AGMWPNZELAMMPV-KLLQWSIKSA-N |
Mol Weight | 427.6 g/mol |
Molecular Formula | C27H41NO3 |
Exact Mass | 427.308644 g/mol |
SpectraBase Spectrum ID | LxApovcYnL9 |
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Name | N-Mesityl-2-[(5R)-5-menthyloxy-2-oxo-2(5H)-furan-4-yl]pyrrolidine isomer |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C27H41NO3 |
InChI | InChI=1S/C27H41NO3/c1-16(2)21-10-9-17(3)14-24(21)30-27-22(15-25(29)31-27)23-8-7-11-28(23)26-19(5)12-18(4)13-20(26)6/h12-13,16-17,21-24,27H,7-11,14-15H2,1-6H3/t17?,21?,22-,23+,24?,27+/m0/s1 |
InChIKey | AGMWPNZELAMMPV-KLLQWSIKSA-N |
Molecular Weight | 427.629 g/mol |
SMILES | c1(N2[C@@]([C@]3([C@@](OC(C3)=O)(OC3C(CCC(C3)C)C(C)C)[H])[H])(CCC2)[H])c(cc(cc1C)C)C |
SPLASH | splash10-000i-0900000000-778d0b2eab8c7b327d3d |
Source of Spectrum | J-65-8703-29 |
Wiley ID | 1534023 |