| SpectraBase Compound ID | 4VBgkGCaYTa |
|---|---|
| InChI | InChI=1S/C24H38O8/c1-7-8-9-10-11-18(26)12-13-19(27)30-20-14(2)21-24(6,32-16(20)4)22(29-17(5)25)15(3)23(28)31-21/h12-16,18,20-22,26H,7-11H2,1-6H3/b13-12+/t14-,15+,16+,18+,20-,21+,22+,24+/m1/s1 |
| InChIKey | ZLZXAWHFKFHHNF-MLIBADTPSA-N |
| Mol Weight | 454.6 g/mol |
| Molecular Formula | C24H38O8 |
| Exact Mass | 454.256668 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Gq35XXFM7j5 |
|---|---|
| Name | Botcinin C |
| Appearance | Colorless needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H38O8 |
| InChI | InChI=1S/C24H38O8/c1-7-8-9-10-11-18(26)12-13-19(27)30-20-14(2)21-24(6,32-16(20)4)22(29-17(5)25)15(3)23(28)31-21/h12-16,18,20-22,26H,7-11H2,1-6H3/b13-12+/t14-,15+,16+,18+,20-,21+,22+,24+/m1/s1 |
| InChIKey | ZLZXAWHFKFHHNF-MLIBADTPSA-N |
| Instrument Name | JEOL AX505HA |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0503855 |
| Molecular Weight | 454.560 g/mol |
| Optical Rotation | [a]D25 = -28 (c = 0.26, EtOH) |
| Reported Formula | C24H38O8 |
| SMILES | O[C@](\C=C\C(O[C@]1([C@@](O[C@]2([C@@](OC([C@]([C@@]2(OC(C)=O)[H])(C)[H])=O)([C@@]1(C)[H])[H])C)(C)[H])[H])=O)(CCCCCC)[H] |
| SPLASH | splash10-014j-8940000000-a281841352ca20ac7141 |
| Source of Spectrum | G4-68-1771-3 |
| Wiley ID | 1879504 |