| SpectraBase Compound ID | 4SreCxG66nn |
|---|---|
| InChI | InChI=1S/C22H34O8/c1-7-8-9-16(24)10-11-17(25)28-18-12(2)19-22(6,30-14(18)4)20(27-15(5)23)13(3)21(26)29-19/h10-14,16,18-20,24H,7-9H2,1-6H3/b11-10+/t12-,13-,14+,16+,18-,19+,20+,22+/m1/s1 |
| InChIKey | WLRQVOMHDQWLIH-WMLFUGEISA-N |
| Mol Weight | 426.5 g/mol |
| Molecular Formula | C22H34O8 |
| Exact Mass | 426.225368 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EzaTuZzvyFd |
|---|---|
| Name | Botcinin A |
| Appearance | Colorless needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O8 |
| InChI | InChI=1S/C22H34O8/c1-7-8-9-16(24)10-11-17(25)28-18-12(2)19-22(6,30-14(18)4)20(27-15(5)23)13(3)21(26)29-19/h10-14,16,18-20,24H,7-9H2,1-6H3/b11-10+/t12-,13-,14+,16+,18-,19+,20+,22+/m1/s1 |
| InChIKey | WLRQVOMHDQWLIH-WMLFUGEISA-N |
| Instrument Name | JEOL AX505HA |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0503855 |
| Molecular Weight | 426.506 g/mol |
| Optical Rotation | [a]D25 = -33 (c = 0.50, EtOH) |
| Reported Formula | C22H34O8 |
| SMILES | O[C@](\C=C\C(O[C@@]1([C@]([C@@]2(OC([C@@]([C@@]([C@]2(O[C@]1(C)[H])C)(OC(C)=O)[H])(C)[H])=O)[H])(C)[H])[H])=O)(CCCC)[H] |
| SPLASH | splash10-0avj-9830000000-8e21e8664258c4ac4a22 |
| Source of Spectrum | G4-68-1770-1 |
| Wiley ID | 1879502 |