SpectraBase Compound ID | HMKdann06vj |
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InChI | InChI=1S/C25H31NO3/c1-17(2)10-8-11-18(3)12-9-15-25(5,27)23-16-21-19(4)26(28)22-14-7-6-13-20(22)24(21)29-23/h6-7,9-10,12-15,23,27H,8,11,16H2,1-5H3/b15-9+,18-12+/t23-,25+/m0/s1 |
InChIKey | CPHALJMXKNITBL-ZFKGPQQBSA-N |
Mol Weight | 393.53 g/mol |
Molecular Formula | C25H31NO3 |
Exact Mass | 393.230394 g/mol |
SpectraBase Spectrum ID | 5ML4WDOB7nu |
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Name | Aurachin G |
Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C25H31NO3 |
InChI | InChI=1S/C25H31NO3/c1-17(2)10-8-11-18(3)12-9-15-25(5,27)23-16-21-19(4)26(28)22-14-7-6-13-20(22)24(21)29-23/h6-7,9-10,12-15,23,27H,8,11,16H2,1-5H3/b15-9+,18-12+/t23-,25+/m0/s1 |
InChIKey | CPHALJMXKNITBL-ZFKGPQQBSA-N |
Molecular Weight | 393.527 g/mol |
SMILES | O[C@@]([C@@]1(Cc2c([n+](c3c(cccc3)c2O1)[O-])C)[H])(\C=C\C=C\(CCC=C(C)C)C)C |
SPLASH | splash10-00di-0901000000-4bb949ff60e959445a0d |
Source of Spectrum | G4-71-1848-7 |
Wiley ID | 1695232 |