| Catalog Number |
ACM28656919-1 |
| CAS |
28656-91-9 |
| Structure |
![{[CAS...OR...Name]}](https://resource.alfa-chemistry.com/structure/28656-91-9.gif) |
| Description |
Aeroplysinin 1 is a secondary metabolite isolated from marine sponges. |
| Synonyms |
(1R)-1,6β-Dihydroxy-3,5-dibromo-4-methoxy-2,4-cyclohexadiene-1β-acetonitrile |
| IUPAC Name |
2-[(1S,6R)-3,5-Dibromo-1,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-yl]acetonitrile |
| Molecular Weight |
338.98 |
| Canonical SMILES |
COC1=C(C(C(C=C1Br)(CC#N)O)O)Br |
| InChI |
InChI=1S/C9H9Br2NO3/c1-15-7-5(10)4-9(14,2-3-12)8(13)6(7)11/h4,8,13-14H,2H2,1H3/t8-,9-/m0/s1 |
| InChI Key |
BGYNLOSBKBOJJD-IUCAKERBSA-N |
| Purity |
95%+ |
| Complexity |
382 |
| Covalently-Bonded Unit Count |
1 |
| Defined Atom Stereocenter Count |
2 |
| Exact Mass |
338.89287 |
| Heavy Atom Count |
15 |
| Isomeric SMILES |
COC1=C([C@@H]([C@@](C=C1Br)(CC#N)O)O)Br |
| Monoisotopic Mass |
336.89492 |
| Physical State |
Powder |
| Storage Conditions |
Powder: -20°C for 3 years
In solvent: -80°C for 2 years |
| Topological Polar Surface Area |
73.5 Ų |
For Research Use Only. Not for use in diagnostic or therapeutic procedures.
