| SpectraBase Compound ID | 8pKCuJZqn1G |
|---|---|
| InChI | InChI=1S/C32H56N2/c1-2-5-10-14-18-23-34-26-29-19-15-11-7-4-6-9-13-17-22-33-24-21-32(31(25-29)28-34)30(27-33)20-16-12-8-3-1/h2,5,9,13,29-32H,1,3-4,6-8,10-12,14-28H2/b5-2-,13-9-/t29-,30+,31+,32+/m1/s1 |
| InChIKey | YWSKQTXNGIVXSX-QNFDIZICSA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C32H56N2 |
| Exact Mass | 468.44435 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Apk9s1n0zoI |
|---|---|
| Name | Halichondramine |
| Appearance | Yellow oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H56N2 |
| InChI | InChI=1S/C32H56N2/c1-2-5-10-14-18-23-34-26-29-19-15-11-7-4-6-9-13-17-22-33-24-21-32(31(25-29)28-34)30(27-33)20-16-12-8-3-1/h2,5,9,13,29-32H,1,3-4,6-8,10-12,14-28H2/b5-2-,13-9-/t29-,30+,31+,32+/m1/s1 |
| InChIKey | YWSKQTXNGIVXSX-QNFDIZICSA-N |
| Instrument Name | Fisons Autospec Q |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0200663 |
| Molecular Weight | 468.814 g/mol |
| Optical Rotation | [a]D25 = 3.32 (c = 0.54, MeOH) |
| Reported Formula | C32H56N2 |
| SMILES | C1N2CC[C@]3([C@]1(CCCCCC\C=C/CCCCN1C[C@@](C[C@]3(C1)[H])(CCCCCC\C=C/CC2)[H])[H])[H] |
| SPLASH | splash10-000t-9110200000-daed34ca558e946a97e1 |
| Source of Spectrum | G4-65-1740-1 |
| Wiley ID | 1883436 |