Products 18802-17-0

CAS 18802-17-0 appears in our catalog under these names: Actinobolin (hemisulfate), Actinobolin (hemisulfate). Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, Get quote.

Structural formula: {0} (CAS {1})

Bis((2S)-2-amino-N-[(3R,4R,4aR,5R,6R)-5,6,8-trihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydroisochromen-4-yl]propanamide);sulfuric acid (CAS 18802-17-0) is a chemical compound with the molecular formula C26H42N4O16S and a molecular weight of 698.7 g/mol. IUPAC name: bis((2S)-2-amino-N-[(3R,4R,4aR,5R,6R)-5,6,8-trihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydroisochromen-4-yl]propanamide);sulfuric acid. InChIKey: FOBDHAMVQNURED-LWTNDNBJSA-N.

Identity
Molecular formulaC26H42N4O16S
Molecular weight698.7 g/mol
IUPAC namebis((2S)-2-amino-N-[(3R,4R,4aR,5R,6R)-5,6,8-trihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydroisochromen-4-yl]propanamide);sulfuric acid
InChIKeyFOBDHAMVQNURED-LWTNDNBJSA-N
SMILESC[C@@H]1[C@@H]([C@@H]2[C@H]([C@@H](CC(=C2C(=O)O1)O)O)O)NC(=O)[C@H](C)N.C[C@@H]1[C@@H]([C@@H]2[C@H]([C@@H](CC(=C2C(=O)O1)O)O)O)NC(=O)[C@H](C)N.OS(=O)(=O)O

Computed by PubChem (NCBI)