| SpectraBase Compound ID | Ce2CfUm5dvN |
|---|---|
| InChI | InChI=1S/C27H43NO8/c1-7-28-12-24(13-32-3)9-8-18(34-5)26-16-10-15-17(33-4)11-25(30,19(16)20(15)36-14(2)29)27(31,23(26)28)22(35-6)21(24)26/h15-23,30-31H,7-13H2,1-6H3/t15-,16?,17+,18+,19?,20+,21?,22+,23?,24+,25-,26+,27-/m1/s1 |
| InChIKey | BQMFTYVYHRJVMQ-DEFZNFMCSA-N |
| Mol Weight | 509.6 g/mol |
| Molecular Formula | C27H43NO8 |
| Exact Mass | 509.298867 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Kw1lbViI992 |
|---|---|
| Name | Acetyl-browniine |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H43NO8 |
| InChI | InChI=1S/C27H43NO8/c1-7-28-12-24(13-32-3)9-8-18(34-5)26-16-10-15-17(33-4)11-25(30,19(16)20(15)36-14(2)29)27(31,23(26)28)22(35-6)21(24)26/h15-23,30-31H,7-13H2,1-6H3/t15-,16?,17+,18+,19?,20+,21?,22+,23?,24+,25-,26+,27-/m1/s1 |
| InChIKey | BQMFTYVYHRJVMQ-DEFZNFMCSA-N |
| Molecular Weight | 509.640 g/mol |
| SMILES | O[C@]12[C@@]3(C4[C@]5(C6C[C@@]([C@@](C26)(OC(=O)C)[H])([C@](C1)(OC)[H])[H])C([C@](CN4CC)(CC[C@@]5(OC)[H])COC)[C@@]3(OC)[H])O |
| SPLASH | splash10-004i-0000910000-63e6e9037db44dd87e49 |
| Source of Spectrum | X4-25-42-0 |
| Wiley ID | 1586187 |