| SpectraBase Compound ID | 7sQ9yxd1aEU |
|---|---|
| InChI | InChI=1S/C26H37NO5/c1-14(2)21(24(31)32)27-18-12-19(28)23(30)17(22(18)29)13-26(6)16(4)10-11-25(5)15(3)8-7-9-20(25)26/h8,12,14,16,20-21,27,30H,7,9-11,13H2,1-6H3,(H,31,32)/t16-,20+,21-,25+,26+/m0/s1 |
| InChIKey | HREPKYSNTPRGQR-ACASOIJHSA-N |
| Mol Weight | 443.6 g/mol |
| Molecular Formula | C26H37NO5 |
| Exact Mass | 443.267173 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JcKxr6Pn6D5 |
|---|---|
| Name | Nakijiquinone B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H37NO5 |
| InChI | InChI=1S/C26H37NO5/c1-14(2)21(24(31)32)27-18-12-19(28)23(30)17(22(18)29)13-26(6)16(4)10-11-25(5)15(3)8-7-9-20(25)26/h8,12,14,16,20-21,27,30H,7,9-11,13H2,1-6H3,(H,31,32)/t16-,20+,21-,25+,26+/m0/s1 |
| InChIKey | HREPKYSNTPRGQR-ACASOIJHSA-N |
| Molecular Weight | 443.584 g/mol |
| SMILES | N(C=1C(C(=C(C(C1)=O)O)C[C@]1([C@]2([C@](C(C)=CCC2)(C)CC[C@@]1(C)[H])[H])C)=O)[C@](C(=O)O)(C(C)C)[H] |
| SPLASH | splash10-0002-9140000000-552de00f6805a08596ac |
| Source of Spectrum | F-50-8353-2 |
| Synonyms | (2S)-2-[(5-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]methyl}-4-hydroxy-3,6-dioxo-1,4-cyclohexadien-1-yl)amino]-3-methylbutanoic acid (S)-2-[4-Hydroxy-3,6-dioxo-5-((1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-naphthalen-1-ylmethyl)-cyclohexa-1,4-dienylamino]-3-methyl-butyric acid |
| Wiley ID | 1385765 |